electronic papers catena-poly[[bis(nitrato)(pyrimidine)copper(ii)]-l-pyrimidine-n:n 0 ] Ivonne Riggio et al.

Size: px
Start display at page:

Download "electronic papers catena-poly[[bis(nitrato)(pyrimidine)copper(ii)]-l-pyrimidine-n:n 0 ] Ivonne Riggio et al."

Transcription

1 electronic papers Acta Crystallographica Section C Crystal Structure Communications ISSN catena-poly[[bis(nitrato)(pyrimidine)copper(ii)]-l-pyrimidine-n:n 0 ] Ivonne Riggio et al. Electronic paper This paper is published electronically. It meets the data-validation criteria for publication in Acta Crystallographica Section C. The submission has been checked by a Section C Co-editor though the text in the `Comments' section is the responsibility of the authors. # 2000 International Union of Crystallography Printed in Great Britain ± all rights reserved Acta Cryst. (2000). C56, e380±e381 Ivonne Riggio et al. [Cu(NO 3 ) 2 (C 4 H 4 N 2 ) 2 ]

2 electronic papers Acta Crystallographica Section C Crystal Structure Communications ISSN semicoordinating distance [Cu1O (3) A Ê ]. One of the pyrimidine ligands bridges the Cu atoms, forming a polymeric two-dimensional network, while a second pyrimidine ligand acts as a monodentate ligand. This is quite uncommon catena-poly[[bis(nitrato)(pyrimidine)- copper(ii)]-l-pyrimidine-n:n 0 ] Ivonne Riggio, a ² Gerard A. van Albada, a Ilpo Mutikainen, b Urho Turpeinen b and Jan Reedijk a * a Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, PO Box 9502, 2300 RA Leiden, The Netherlands, and b Laboratory of Inorganic Chemistry, Department of Chemistry, PO Box 55 (A. I. Virtasen aukio 1), FIN University of Helsinki, Finland Correspondence reedijk@chem.leidenuniv.nl Received 13 July 2000 Accepted 8 August 2000 Data validation number: IUC The title compound, [Cu(NO 3 ) 2 (C 4 H 4 N 2 ) 2 ] n, crystallizes as a linear polymeric compound with one pyrimidine ligand bridging between two Cu II atoms and a second pyrimidine ligand coordinated in a monodentate manner. The distorted octahedral geometry around the Cu II atom consists of two pyrimidine N atoms at distances of (4) and (4) A Ê, and two nitrate O atoms at distances at (3) and (3) A Ê. The apical positions are occupied by an N atom of a bridging pyrimidine ligand [2.291 (4) A Ê ] and a nitrate O atom at a long distance of (3) A Ê. The basal plane is almost planar, with trans angles of (14) and (15). Comment Low-molecular weight bifunctional heterocyclic N-donor molecules have received much interest due to the fact that they can form interesting polymeric structures (van Albada et al., 2000; Batten et al., 1998; Jensen et al., 1999, Manson et al., 1998). With pyrimidine as a ligand and nitrate as an anion, only a few polymeric copper(ii) structures have been reported in which the nitrate anion acts as a monodentate anion and the ligand is bridging between the Cu atoms (Blasco et al., 1994; Carlucci et al., 1998; Power et al., 1998). In the title compound, (I), the Cu II atom is surrounded by two pyrimidine N atoms [Cu1ÐN (4) A Ê and Cu1Ð N (4) A Ê ] and two nitrate O atoms [Cu1ÐO (3) A Ê and Cu1ÐO (3) A Ê ], which form the planar base of the distorted octahedron, with basal angles of (14) (O21ÐCu1ÐO11) and (15) (N21ÐCu1Ð N11). The apical positions are occupied by an N atom of a bridging pyrimidine ligand [Cu1ÐN23 i (4) A Ê ; symmetry code: (i) x, 1 y, z] and a nitrate O atom at a quite long ² Socrates exchange student from the University of Palermo, Department of Inorganic Chemistry, Palermo, Italy. for copper(ii) compounds, but not unprecedented. Spectroscopic measurements were performed to verify the structural features. The ligand eld spectrum, measured as a solid in the diffuse re ectance mode, shows a broad tail-shaped d±d transition band with maxima at 15.4 and cm 1 which is normal for a tetragonal-type CuN 3 O 2 (O) chromophore (Amani Komaei et al., 1999; Driessen et al., 1993; van Koningsbruggen et al., 1993). The EPR spectra measured as a polycrystalline powder showed an axial S = 1 2 spectrum with a g(perp) of 2.09 and a g(par) of Experimental Copper(II) nitrate (1.2 mmol) and pyrimidine (1.2 mmol) were each dissolved in 10 ml of ethanol. The copper(ii) solution was then added slowly to the ligand solution, thereby preventing any precipitation. The solution was ltered to remove any solids and after a few days, blue crystals seperated. Satisfactory elemental analyses were obtained. A crystal was mounted on a glass ber using the oil-drop method (Kottke & Stalke, 1993) and data were collected at 193 K. Crystal data [Cu(NO 3 ) 2 (C 4 H 4 N 2 ) 2 ] M r = Orthorhombic, Pca2 1 a = (2) A Ê b = (2) A Ê c = (3) A Ê V = (5) A Ê 3 Z =4 D x = Mg m 3 Data collection Rigaku AFC-7S diffractometer!±2 scans Absorption correction: scan (North et al., 1968) T min = 0.581, T max = measured re ections 1133 independent re ections 1109 re ections with I > 2(I) Re nement Re nement on F 2 R[F 2 >2(F 2 )] = wr(f 2 ) = S = re ections 190 parameters H-atom parameters constrained Mo K radiation Cell parameters from 25 re ections = 3.5±7.0 = mm 1 T = 193 (2) K Prismatic, blue mm max = h = 11! 0 k = 10! 0 l = 17! 0 3 standard re ections every 200 re ections intensity decay: none w = 1/[ 2 (F o 2 ) + (0.0576P) P] where P =(F o 2 +2F c 2 )/3 (/) max < max = 0.54 e A Ê 3 min = 0.86 e A Ê 3 Absolute structure: Flack (1983) Flack parameter = 0.07 (2) e380 Ivonne Riggio et al. [Cu(NO 3 ) 2 (C 4 H 4 N 2 ) 2 ] Acta Cryst. (2000). C56, e380±e381

3 electronic papers Table 1 Selected geometric parameters (A Ê, ). Cu1ÐO (3) Cu1ÐO (3) Cu1ÐN (4) O21ÐCu1ÐO (14) O21ÐCu1ÐN (14) O11ÐCu1ÐN (14) O21ÐCu1ÐN (15) O11ÐCu1ÐN (15) Symmetry codes: (i) x, 1 y, z. Cu1ÐN (4) Cu1ÐN23 i (4) N21ÐCu1ÐN (15) O21ÐCu1ÐN23 i (15) O11ÐCu1ÐN23 i (14) N21ÐCu1ÐN23 i (14) N11ÐCu1ÐN23 i (15) H atoms were introduced in calculated positions and re ned with xed geometry (CÐH = 0.95 A Ê ) with respect to their carrier atoms. Data collection and cell re nement: AFC-7S software; data reduction: TEXSAN (Molecular Structure Corporation, 1993); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to re ne structure: SHELXL97 (Sheldrick, 1997); software used to prepare material for publication: SHELXL97. The work described in the present paper has been supported by the Leiden University Study group WFMO (Werkgroep Fundamenteel Materialen Onderzoek). IR wishes to thank the Socrates student exchange program. References Albada, G. A. van, Quiroz-Castro, M. E., Mutikainen, I., Turpeinen, U. & Reedijk, J. (2000). Inorg. Chim. Acta, 298, 74±78. Amani Komaei, S., van Albada, G. A., Mutikainen, I., Turpeinen, U. & Reedijk, J. (1999). Polyhedron, 18, 1991±1997. Batten, S. R., Jensen, P., Moubaraki, B., Murray, K. S. & Robson, R. (1998). Chem. Commun. pp. 439±440. Blasco, F., Ortiz, R., Perello, L., Borras, J., Amigo, J. & Debaerdemeaker, T. (1994). J. Inorg. Biochem. 53, 117±126. Carlucci, L., Ciani, G., Macchi, P. & Prosperpio, D. M. (1998). Chem. Commun. pp. 1837±1838. Driessen, W. L., Gorter, S., Haanstra, W. G., Laarhoven, L. J. J., Reedijk, J., Goubitz, K. & Seljee, F. R. (1993). Rec. Trav. Chim. Pays-Bas, 112, 309±313. Flack, H. D (1983). Acta Cryst. A39, 876±881. Jensen, P., Batten, S. R., Fallon, G. D., Moubaraki, B., Murray, K. S. & Price, D. J. (1999). Chem. Commun. pp. 177±178. Koningsbruggen, P. J. van, MuÈ ller, E., Haasnoot, J. G. & Reedijk, J. (1993). Inorg. Chim. Acta, 208, 37±42. Kottke, T. & Stalke, D. (1993). J. Appl. Cryst. 26, 615±619. Manson, J. L., Lee, D. W., Rheingold, A. L. & Miller, J. S. (1998). Inorg. Chem. 37, 5966±5967. Molecular Structure Corporation (1993). TEXSAN. Version 1.6. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351± 359. Power, K. M., Hennigar, T. L. & Zawarotko, M. J. (1998). Chem. Commun. pp. 595±596. Sheldrick, G. M. (1997). SHELXL97 and SHELXS97. University of GoÈ ttingen, Germany. Acta Cryst. (2000). C56, e380±e381 Ivonne Riggio et al. [Cu(NO 3 ) 2 (C 4 H 4 N 2 ) 2 ] e381

4 supporting information [ catena-poly[[bis(nitrato)(pyrimidine)copper(ii)]-µ-pyrimidine-n:n ] Ivonne Riggio, Gerard A. van Albada, Ilpo Mutikainen, Urho Turpeinen and Jan Reedijk Computing details Data collection: AFC-7S software; cell refinement: AFC-7S software; data reduction: TEXSAN (Molecular Structure Corporation, 1993); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); software used to prepare material for publication: SHELXL97. (I) Crystal data [Cu(NO 3 ) 2 (C 4 H 4 N 2 ) 2 ] M r = Orthorhombic, Pca2 1 a = (2) Å b = (2) Å c = (3) Å V = (5) Å 3 Z = 4 F(000) = 700 Data collection Rigaku AFC-7S diffractometer Radiation source: fine-focus sealed tube Graphite monochromator ω 2θ scans Absorption correction: ψ scan (North et al., 1968) T min = 0.581, T max = measured reflections Refinement Refinement on F 2 Least-squares matrix: full R[F 2 > 2σ(F 2 )] = wr(f 2 ) = S = reflections 190 parameters 1 restraint Primary atom site location: structure-invariant direct methods Secondary atom site location: difference Fourier map D x = Mg m 3 Mo Kα radiation, λ = Å Cell parameters from 25 reflections θ = µ = 1.86 mm 1 T = 193 K Prismatic, blue mm 1133 independent reflections 1109 reflections with I > 2σ(I) R int = θ max = 25.2, θ min = 2.9 h = 11 0 k = 10 0 l = standard reflections every 200 reflections intensity decay: 0.0% Hydrogen site location: inferred from neighbouring sites H-atom parameters constrained Calculated w = 1/[σ 2 (F o2 ) + (0.0576P) P] where P = (F o 2 + 2F c2 )/3 (Δ/σ) max < Δρ max = 0.54 e Å 3 Δρ min = 0.86 e Å 3 Absolute structure: Flack (1983) Absolute structure parameter: 0.07 (2) sup-1

5 Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wr and goodness of fit S are based on F 2, conventional R-factors R are based on F, with F set to zero for negative F 2. The threshold expression of F 2 > σ(f 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 ) x y z U iso */U eq Cu (4) (5) (6) (18) N (4) (4) (3) (8) C (5) (5) (4) (10) H12A * N (5) (5) (4) (11) C (5) (5) (4) (11) H14A * C (5) (6) (4) (10) H15A * C (5) (5) (3) (9) H16A * N (3) (4) (3) (7) C (4) (5) (3) (9) H22A * N (4) (5) (3) (7) C (5) (5) (3) (9) H24A * C (5) (5) (4) (10) H25A * C (5) (6) (4) (10) H26A * N (4) (4) (3) (8) O (3) (4) (2) (7) O (3) (4) (3) (8) O (3) (5) (3) (9) N (4) (4) (3) (8) O (4) (3) (3) (7) O (3) (4) (3) (10) O (4) (4) (2) (8) Atomic displacement parameters (Å 2 ) U 11 U 22 U 33 U 12 U 13 U 23 Cu (3) (3) (3) (16) (2) (3) N (17) (16) (2) (15) (16) (16) C (2) (2) (3) (19) (2) (2) sup-2

6 N (3) (19) (3) (17) (2) (2) C (3) (2) (3) (18) (2) (18) C (2) (3) (2) (2) (19) (2) C (2) (2) (2) (18) (2) (18) N (16) (15) (16) (13) (15) (16) C (18) (2) (2) (16) (15) (16) N (16) (17) (2) (15) (16) (18) C (2) (2) (2) (19) (19) (2) C (2) (2) (3) (2) (2) (2) C (18) (2) (2) (18) (19) (2) N (18) (18) (2) (15) (17) (17) O (15) (15) (17) (12) (13) (13) O (17) (2) (18) (16) (15) (17) O (2) (2) (18) (15) (14) (17) N (19) (16) (2) (16) (17) (16) O (17) (18) (17) (11) (15) (13) O (2) (2) (2) (12) (15) (16) O (19) (17) (2) (15) (16) (15) Geometric parameters (Å, º) Cu1 O (3) N21 C (6) Cu1 O (3) C22 N (5) Cu1 N (4) C22 H22A Cu1 N (4) N23 C (6) Cu1 N23 i (4) N23 Cu1 ii (4) N11 C (6) C24 C (7) N11 C (6) C24 H24A C12 N (7) C25 C (7) C12 H12A C25 H25A N13 C (7) C26 H26A C14 C (7) N1 O (6) C14 H14A N1 O (5) C15 C (6) N1 O (5) C15 H15A N2 O (5) C16 H16A N2 O (6) N21 C (6) N2 O (5) O21 Cu1 O (14) C26 N21 C (4) O21 Cu1 N (14) C26 N21 Cu (3) O11 Cu1 N (14) C22 N21 Cu (3) O21 Cu1 N (15) N23 C22 N (4) O11 Cu1 N (15) N23 C22 H22A N21 Cu1 N (15) N21 C22 H22A O21 Cu1 N23 i (15) C22 N23 C (4) O11 Cu1 N23 i (14) C22 N23 Cu1 ii (3) N21 Cu1 N23 i (14) C24 N23 Cu1 ii (3) N11 Cu1 N23 i (15) N23 C24 C (4) sup-3

7 C12 N11 C (4) N23 C24 H24A C12 N11 Cu (3) C25 C24 H24A C16 N11 Cu (3) C24 C25 C (4) N13 C12 N (5) C24 C25 H25A N13 C12 H12A C26 C25 H25A N11 C12 H12A N21 C26 C (4) C14 N13 C (4) N21 C26 H26A N13 C14 C (5) C25 C26 H26A N13 C14 H14A O13 N1 O (4) C15 C14 H14A O13 N1 O (4) C14 C15 C (4) O12 N1 O (4) C14 C15 H15A N1 O11 Cu (3) C16 C15 H15A O23 N2 O (4) N11 C16 C (4) O23 N2 O (4) N11 C16 H16A O22 N2 O (4) C15 C16 H16A N2 O21 Cu (3) Symmetry codes: (i) x+1/2, y+1, z; (ii) x 1/2, y+1, z. sup-4

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Dichloridotris(trimethylphosphine)- nickel(ii) Ruixia Cao, Qibao Wang and Hongjian Sun* School of Chemistry

More information

Orthorhombic, Pbca a = (3) Å b = (15) Å c = (4) Å V = (9) Å 3. Data collection. Refinement

Orthorhombic, Pbca a = (3) Å b = (15) Å c = (4) Å V = (9) Å 3. Data collection. Refinement organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 N 0 -(3,4-Dimethylbenzylidene)furan-2- carbohydrazide Yu-Feng Li a and Fang-Fang Jian b * a Microscale Science

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 = 86.130 (2) = 81.155 (2) = 76.289 (3) V = 699.69 (4) Å 3 Z =2 Mo K radiation = 1.58 mm 1 T = 293 (2) K

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 2-Oxo-1,2-dihydropyrimidin-3-ium di-l- chlorido-bis{dichloridobis[pyrimidin- 2(1H)-one-jN 3 ]cuprate(ii)}

More information

= (8) V = (8) Å 3 Z =4 Mo K radiation. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections

= (8) V = (8) Å 3 Z =4 Mo K radiation. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 1-(3-Amino-1H-inden-2-yl)ethanone Dong-Yue Hu and Zhi-Rong Qu* Ordered Matter Science Research Center, College

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Poly[tetra-l-cyanido-dipyridinecadmium(II)zinc(II)] Sheng Li,* Kun Tang and Fu-Li Zhang College of Medicine,

More information

CIF access. Redetermination of biphenylene at 130K. R. Boese, D. Bläser and R. Latz

CIF access. Redetermination of biphenylene at 130K. R. Boese, D. Bläser and R. Latz CIF access Acta Cryst. (1999). C55, IUC9900067 [ doi:10.1107/s0108270199099163 ] Redetermination of biphenylene at 130K R. Boese, D. Bläser and R. Latz Abstract Biphenylene is one of the key compounds

More information

organic papers 2,6-Diamino-3,5-dinitro-1,4-pyrazine 1-oxide Comment

organic papers 2,6-Diamino-3,5-dinitro-1,4-pyrazine 1-oxide Comment organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 2,6-Diamino-3,5-dinitro-1,4-pyrazine 1-oxide Richard D. Gilardi a * and Ray J. Butcher b a Laboratory for the Structure

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 catena-poly[[diaquamanganese(ii)]- l-pyridine-2,4,6-tricarboxylatoj 5 N,O 2,O 6 :O 4,O 40 ] Da-Wei Fu and

More information

= (1) V = (12) Å 3 Z =4 Mo K radiation. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections

= (1) V = (12) Å 3 Z =4 Mo K radiation. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 S-Benzylisothiouronium nitrate P. Hemalatha a and V. Veeravazhuthi b * a Department of Physics, PSG College of

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Chlorido[N 0 -(2-oxidobenzilidene)- acetohydrazide-j 2 O,N 0,O 0 ]copper(ii) dihydrate Farba Bouyagui Tamboura,

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Bis(3-benzoyl-1,1-di-sec-butylthioureatoj 2 O,S)palladium(II) N. Selvakumaran, a R. Karvembu, a Seik Weng

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Diaquabis[bis(pyrazin-2-yl) sulfide-jn 4 ]- bis(thiocyanato-jn)iron(ii) monohydrate Susanne Wöhlert,* Inke

More information

= (3) V = (4) Å 3 Z =4 Mo K radiation. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = 1.

= (3) V = (4) Å 3 Z =4 Mo K radiation. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = 1. Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 4,4-Diacetylheptanedinitrile Guo-wei Wang, a Jian Zhang, a Ling-hua Zhuang, b Wen-yuan Wu b and Jin-tang Wang b * a Department of

More information

Diammonium biphenyl-4,4'-disulfonate. Author. Published. Journal Title DOI. Copyright Statement. Downloaded from. Link to published version

Diammonium biphenyl-4,4'-disulfonate. Author. Published. Journal Title DOI. Copyright Statement. Downloaded from. Link to published version Diammonium biphenyl-4,4'-disulfonate Author Smith, Graham, Wermuth, Urs, Healy, Peter Published 2008 Journal Title Acta Crystallographica. Section E: Structure Reports Online DOI https://doi.org/10.1107/s1600536807061995

More information

Z =8 Mo K radiation = 0.35 mm 1. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections

Z =8 Mo K radiation = 0.35 mm 1. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 4-Amino-3-(4-pyridyl)-1,2,4-triazole- 5(4H)-thione Fang Zou, Wei-Min Xuan, Xue-Ming Fang and Hui Zhang* State

More information

Sodium 3,5-dinitrobenzoate

Sodium 3,5-dinitrobenzoate metal-organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Helen P. Jones,* Amy L. Gillon and Roger J. Davey Colloids, Crystals and Interfaces Group, School of Chemical

More information

organic papers Malonamide: an orthorhombic polymorph Comment

organic papers Malonamide: an orthorhombic polymorph Comment organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Malonamide: an orthorhombic polymorph Gary S. Nichol and William Clegg* School of Natural Sciences (Chemistry), Bedson

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Aqua(2,9-dimethyl-1,10-phenanthrolinej 2 N,N 0 )diformato-j 2 O,O 0 ;jo-nickel(ii) monohydrate Ping Xia,

More information

inorganic compounds Chromous hydrazine sulfate

inorganic compounds Chromous hydrazine sulfate inorganic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 Chromous hydrazine sulfate Adrian W. Parkins,* Paul D. Prince, Robert A. L. Smith and Jonathan W. Steed

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Tetraaquabis(nicotinamide-jN 1 )nickel(ii) bis(2-fluorobenzoate) Tuncer Hökelek, a * Hakan Dal, b Barış

More information

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 92 parameters

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 92 parameters organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 1,1 0 -(Butane-1,4-diyl)dipyridinium dibromide dihydrate Ming-Qiang Wu, a Xin Xiao, a Yun-Qian Zhang, a * Sai-Feng

More information

b = (13) Å c = (13) Å = (2) V = (19) Å 3 Z =2 Data collection Refinement

b = (13) Å c = (13) Å = (2) V = (19) Å 3 Z =2 Data collection Refinement organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 b = 12.4861 (13) Å c = 12.9683 (13) Å = 90.748 (2) V = 1051.10 (19) Å 3 Z =2 Mo K radiation = 3.87 mm 1 T = 193

More information

2-Methoxy-1-methyl-4-nitro-1H-imidazole

2-Methoxy-1-methyl-4-nitro-1H-imidazole University of Wollongong Research Online Australian Institute for Innovative Materials - Papers Australian Institute for Innovative Materials 2007 2-Methoxy-1-methyl-4-nitro-1H-imidazole Maciej Kubicki

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Di-l-bromido-bis({bis[2-(2-pyridyl)- ethyl]amine}copper(ii)) bis(perchlorate) Ray J. Butcher,* Yilma Gultneh,

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 A binuclear cobalt(ii) complex of an NO 3 -donor Schiff base derived from 3-carboxylsalicylaldehyde and

More information

Experimental. Crystal data

Experimental. Crystal data electronic papers Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 catena-poly[fac-trichloromethyltin(iv)-l-[meso-1,2-bis(phenylsulfinyl)ethane-o:o 0 ]] Maria Teresa do

More information

organic papers Zwitterionic 2-(methylamino)ethanesulfonic acid

organic papers Zwitterionic 2-(methylamino)ethanesulfonic acid organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Zwitterionic 2-(methylamino)ethanesulfonic acid John A. Kalaitzis, Priscila de Almeida Leone, Ronald J. Quinn and

More information

b = (9) Å c = (7) Å = (1) V = (16) Å 3 Z =4 Data collection Refinement

b = (9) Å c = (7) Å = (1) V = (16) Å 3 Z =4 Data collection Refinement organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 8-Iodoquinolinium triiodide tetrahydrofuran solvate Jung-Ho Son and James D. Hoefelmeyer* Department of Chemistry,

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Propane-1,2-diammonium bis(pyridine- 2,6-dicarboxylato-j 3 O,N,O 0 )nickelate(ii) tetrahydrate Hossein Aghabozorg,

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 (Formato-jO)bis(1,10-phenanthrolinej 2 N,N 0 )copper(ii) formate hexahydrate Wei Xu,* Jian-Li Lin, Hong-Zhen

More information

Experimental. Crystal data. C 18 H 22 N 4 O 6 M r = Monoclinic, P2=n a = (5) Å b = (4) Å c = (5) Å = 104.

Experimental. Crystal data. C 18 H 22 N 4 O 6 M r = Monoclinic, P2=n a = (5) Å b = (4) Å c = (5) Å = 104. organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Ethyl 5-((1E)-1-{(E)-2-[1-(4-ethoxycarbonyl-3-methyl-1,2-oxazol-5-yl)ethylidene]hydrazin-1-ylidene}ethyl)-3- methyl-1,2-oxazole-4-carboxylate

More information

organic papers 2-Iodo-4-nitro-N-(trifluoroacetyl)aniline: sheets built from iodo nitro and nitro nitro interactions

organic papers 2-Iodo-4-nitro-N-(trifluoroacetyl)aniline: sheets built from iodo nitro and nitro nitro interactions organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 2-Iodo-4-nitro-N-(trifluoroacetyl)aniline: sheets built from iodo nitro and nitro nitro interactions Simon J. Garden,

More information

organic papers Acetone (2,6-dichlorobenzoyl)hydrazone: chains of p-stacked hydrogen-bonded dimers Comment Experimental

organic papers Acetone (2,6-dichlorobenzoyl)hydrazone: chains of p-stacked hydrogen-bonded dimers Comment Experimental organic papers Acta Crystallographica Section E Structure Reports Online Acetone (2,6-dichlorobenzoyl)hydrazone: chains of p-stacked hydrogen-bonded dimers ISSN 1600-5368 Solange M. S. V. Wardell, a Marcus

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 [Sm(NO 3 ) 3 (TPTZ)(H 2 O)]2H 2 O [TPTZ is 2,4,6-tris(2-pyridyl)-1,3,5-triazine] Michael G. B. Drew,

More information

(+-)-3-Carboxy-2-(imidazol-3-ium-1-yl)- propanoate

(+-)-3-Carboxy-2-(imidazol-3-ium-1-yl)- propanoate From the SelectedWorks of Kraig A. Wheeler 2009 (+-)-3-Carboxy-2-(imidazol-3-ium-1-yl)- propanoate Sara A. Reeb, Eastern Illinois University Marlesa C. Shields, Eastern Illinois University Kraig A. Wheeler,

More information

V = (14) Å 3 Z =8 Cu K radiation. Data collection. Refinement

V = (14) Å 3 Z =8 Cu K radiation. Data collection. Refinement organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 (E)-4-Amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide nitromethane monosolvate Mostafa M. Ghorab, a Mansour

More information

metal-organic papers catena-[l 6-1,2,4,5-Benzenetetracarboxylatotetraaqua-dinickel(II)] Comment

metal-organic papers catena-[l 6-1,2,4,5-Benzenetetracarboxylatotetraaqua-dinickel(II)] Comment metal-organic papers Acta Crystallographica Section E Structure Reports Online catena-[l 6-1,2,4,5-Benzenetetracarboxylatotetraaqua-dinickel(II)] dihydrate ISSN 1600-5368 Shi-Yao Yang, a La-Sheng Long,

More information

Methyl acetoacetate at 150 K. The crystal structure of methyl acetoacetate, C 5 H 8 O 3, at 150 K contains discrete molecules.

Methyl acetoacetate at 150 K. The crystal structure of methyl acetoacetate, C 5 H 8 O 3, at 150 K contains discrete molecules. organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Methyl acetoacetate at 150 K Howard A. Shallard-Brown,* David J. Watkin and Andrew R. Cowley Chemical Crystallography

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Bis{tris[3-(2-pyridyl)-1H-pyrazole]- zinc(ii)} dodecamolybdosilicate hexahydrate Xiutang Zhang, a,b * Peihai

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 l-cyanido-j 2 C:N-dicyanido-j 2 C-bis(Nethylethylenediamine-j 2 N,N 0 )copper(ii)- copper(i) Peter W. R.

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Tris(propane-1,2-diamine-j 2 N,N 0 )- nickel(ii) tetracyanidonickelate(ii) Juraj Kuchár and Juraj Černák*

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 trans-dichloridobis(3,5-dimethylpyridine-jn)(ethanolato-jo)oxidorhenium(v) Anna Skarżyńska, Anna M. Trzeciak

More information

addenda and errata [N,N 0 -Bis(4-bromobenzylidene)-2,2-dimethylpropane-j Corrigendum Reza Kia, a Hoong-Kun Fun a * and Hadi Kargar b

addenda and errata [N,N 0 -Bis(4-bromobenzylidene)-2,2-dimethylpropane-j Corrigendum Reza Kia, a Hoong-Kun Fun a * and Hadi Kargar b addenda and errata Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 [N,N 0 -Bis(4-bromobenzylidene)-2,2-dimethylpropane-j 2 N,N 0 ]iodidocopper(i). Corrigendum Reza Kia, a Hoong-Kun

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 l-oxido-bis[hydridotris(trimethylphosphane-jp)iridium(iii)](ir Ir) bis(tetrafluoridoborate) dihydrate Joseph

More information

electronic reprint 2-Hydroxy-3-methoxybenzaldehyde (o-vanillin) revisited David Shin and Peter Müller

electronic reprint 2-Hydroxy-3-methoxybenzaldehyde (o-vanillin) revisited David Shin and Peter Müller Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Editors: W.T. A. Harrison, H. Stoeckli-Evans, E. R.T. Tiekink and M. Weil 2-Hydroxy-3-methoxybenzaldehyde (o-vanillin) revisited

More information

metal-organic papers Di-l-pyridyl-1:2j 2 N:C 2 ;2:1j 2 N:C 2 -l-tetrahydrofuran-j magnesium(ii)] tetrahydrofuran hemisolvate

metal-organic papers Di-l-pyridyl-1:2j 2 N:C 2 ;2:1j 2 N:C 2 -l-tetrahydrofuran-j magnesium(ii)] tetrahydrofuran hemisolvate metal-organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Di-l-pyridyl-1:2j 2 N:C 2 ;2:1j 2 N:C 2 -l-tetrahydrofuran-j 2 O:O-bis[bromo(tetrahydrofuran)- magnesium(ii)]

More information

inorganic compounds Hexagonal ammonium zinc phosphate, (NH 4 )ZnPO 4,at10K

inorganic compounds Hexagonal ammonium zinc phosphate, (NH 4 )ZnPO 4,at10K inorganic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 Hexagonal ammonium zinc phosphate, (NH 4 )ZnPO 4,at10K William T. A. Harrison, a * Alexandre N. Sobolev

More information

Bis[bis(pyrimidin-2-yl-»N)amine](dicyanamido-»N 1 )(trifluoromethanesulfonato-»o)copper(ii) ethanol hemisolvate forms a hydrogen-bonded chain

Bis[bis(pyrimidin-2-yl-»N)amine](dicyanamido-»N 1 )(trifluoromethanesulfonato-»o)copper(ii) ethanol hemisolvate forms a hydrogen-bonded chain Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 Editor: George Ferguson Bis[bis(pyrimidin-2-yl-»N)amine](dicyanamido-»N 1 )(trifluoromethanesulfonato-»o)copper(ii) ethanol

More information

organic compounds Comment

organic compounds Comment organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 4,6-Dimethylthio-1-[3-(4,6-dimethylthio-2H-pyrazolo[3,4-d]- pyrimidin-2-yl)propyl]-1h-pyrazolo[3,4-d]pyrimidine,

More information

organic papers 2-[(Dimethylamino)(phenyl)methyl]benzoic acid

organic papers 2-[(Dimethylamino)(phenyl)methyl]benzoic acid organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 2-[(Dimethylamino)(phenyl)methyl]benzoic acid Yvette L. Dann, Andrew R. Cowley and Harry L. Anderson* University

More information

metal-organic papers Bis[1,1,3,3-tetramethyl-1,3-bis(dichloroacetato)distannoxane]

metal-organic papers Bis[1,1,3,3-tetramethyl-1,3-bis(dichloroacetato)distannoxane] metal-organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Bis[1,1,3,3-tetramethyl-1,3-bis(dichloroacetato)distannoxane] Mostafa M. Amini, a Shabnam Hossein Abadi, a

More information

3-methoxyanilinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate.

3-methoxyanilinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate. 3-methoxyanilinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate. Author Smith, Graham, D. Wermuth, Urs, Healy, Peter Published 2006 Journal Title Acta crystallographica. Section E, Structure reports online

More information

This is an electronic reprint of the original article. This reprint may differ from the original in pagination and typographic detail.

This is an electronic reprint of the original article. This reprint may differ from the original in pagination and typographic detail. This is an electronic reprint of the original article. This reprint may differ from the original in pagination and typographic detail. Author(s): Shylin, Sergii I.; Gural skiy, Il ya A.; Haukka, Matti;

More information

4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)benzoic acid

4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)benzoic acid University of Malaya From the SelectedWorks of Hairul Anuar Bin Tajuddin 2011 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)benzoic acid Hairul Anuar Bin Tajuddin, University of Malaya Available at: https://works.bepress.com/hairulanuar_tajuddin/6/

More information

2. Experimental Crystal data

2. Experimental Crystal data data reports ISSN 2056-9890 Crystal structure of {2-[({2-[(2-aminoethyl)amino]ethyl}imino)methyl]-6-hydroxyphenolato-j 4 N,N 0,N 00,O 1 }(nitratojo)copper(ii) ethanol 0.25-solvate Shabana Noor, a * Sarvendra

More information

= 0.09 mm 1 T = 294 (2) K. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections

= 0.09 mm 1 T = 294 (2) K. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 5-(3-Methoxyphenethyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-ol = 0.09 mm 1 T = 294 (2) K Data collection Bruker

More information

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 245 parameters 2 restraints

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 245 parameters 2 restraints organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Guanidinium phenylarsonate guanidine water (1/1/2) Graham Smith* and Urs D. Wermuth Faculty of Science and Technology,

More information

Tarek Ben Rhaiem* and Habib Boughzala

Tarek Ben Rhaiem* and Habib Boughzala research communications ISSN 2056-9890 Crystal structure of a new hybrid antimony halidebased compound for possible non-linear optical applications Tarek Ben Rhaiem* and Habib Boughzala Received 31 March

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Bis[l-1,4-bis(4,5-dihydro-1H-imidazol- 2-yl)benzene-j 2 N 3 :N 30 ]silver(i) dinitrate dihydrate Hua Sun,

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 b = 8.2387 (7) Å c = 14.7510 (13) Å = 106.1050 (10) V = 1987.5 (3) Å 3 Z =4 Mo K radiation = 2.78 mm 1 T

More information

Prakash S Nayak, B. Narayana, Jerry P. Jasinski, H. S. Yathirajan and Manpreet Kaur

Prakash S Nayak, B. Narayana, Jerry P. Jasinski, H. S. Yathirajan and Manpreet Kaur Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 N-(1,3-Benzothiazol-2-yl)acetamide Prakash S Nayak, B. Narayana, Jerry P. Jasinski, H. S. Yathirajan and Manpreet Kaur This open-access

More information

metal-organic papers Bis(acetato-O)diaqua(2,2 0 -bipyridyl-n,n 0 )cobalt(ii) (OC-13): a two-dimensional material Comment

metal-organic papers Bis(acetato-O)diaqua(2,2 0 -bipyridyl-n,n 0 )cobalt(ii) (OC-13): a two-dimensional material Comment metal-organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Bis(acetato-O)diaqua(2,2 0 -bipyridyl-n,n 0 )cobalt(ii) (OC-13): a two-dimensional material Rosa Carballo,*

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Di-l-bromido-bis[benzyl(diethyl ether)- magnesium] Mark A. Nesbit, Danielle L. Gray and Gregory S. Girolami*

More information

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Ethyl 2-(tert-butoxycarbonylamino)-1,3- benzothiazole-6-carboxylate Can Lei, a Xin Fang, a Hai-Yang Yu, a Ming-Dong

More information

= mm 1 T = 298 K. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 290 parameters 9 restraints

= mm 1 T = 298 K. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 290 parameters 9 restraints inorganic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Sr 5 (V IV OF 5 ) 3 F(H 2 O) 3 refined from a non-merohedrally twinned crystal Armel Le Bail, a * Anne-Marie

More information

organic compounds Melaminium acetate acetic acid solvate monohydrate

organic compounds Melaminium acetate acetic acid solvate monohydrate organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 Melaminium acetate acetic acid solvate monohydrate Genivaldo Julio PerpeÂtuo a and Jan Janczak b,c * a

More information

A two-dimensional Cd II coordination polymer: poly[diaqua[l 3-5,6-bis(pyridin-2-yl)pyrazine-2,3- dicarboxylato-j 5 O 2 :O 3 :O 3,N 4,N 5 ]cadmium]

A two-dimensional Cd II coordination polymer: poly[diaqua[l 3-5,6-bis(pyridin-2-yl)pyrazine-2,3- dicarboxylato-j 5 O 2 :O 3 :O 3,N 4,N 5 ]cadmium] research communications ISSN 2056-9890 A two-dimensional Cd II coordination polymer: poly[diaqua[l 3-5,6-bis(pyridin-2-yl)pyrazine-2,3- dicarboxylato-j 5 O 2 :O 3 :O 3,N 4,N 5 ]cadmium] Monserrat Alfonso

More information

organic compounds 2-(3-Nitrophenylaminocarbonyl)- benzoic acid: hydrogen-bonded sheets of R 4 4 (22) rings Comment

organic compounds 2-(3-Nitrophenylaminocarbonyl)- benzoic acid: hydrogen-bonded sheets of R 4 4 (22) rings Comment organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 2-(3-Nitrophenylaminocarbonyl)- benzoic acid: hydrogen-bonded sheets of R 4 4 (22) rings Christopher Glidewell,

More information

2. Experimental Crystal data

2. Experimental Crystal data data reports ISSN 2056-9890 Crystal structure of (E)-2-[1-(benzo[d]- [1,3]dioxol-5-yl)ethylidene]-N-methylhydrazine-1-carbothioamide Adriano Bof de Oliveira, a * Christian Näther, b Inke Jess, b Renan

More information

Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 155 parameters 10 restraints

Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 155 parameters 10 restraints inorganic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Terbium(III) hydrogendiphosphate(v) tetrahydrate Refinement R[F 2 >2(F 2 )] = 0.011 wr(f 2 ) = 0.034 S = 1.21

More information

research papers V 2 O 2 F 4 (H 2 O) 2 H 2 O: a new V 4+ layer structure related to VOF 3 publcif Cameron Black and Philip Lightfoot* Abstract

research papers V 2 O 2 F 4 (H 2 O) 2 H 2 O: a new V 4+ layer structure related to VOF 3 publcif Cameron Black and Philip Lightfoot* Abstract V 2 O 2 F 4 (H 2 O) 2 H 2 O: a new V 4+ layer structure related to VOF 3 Cameron Black and Philip Lightfoot* School of Chemistry, EaStCHEM, University of St Andrews, KY16 9ST Correspondence email: pl@st-andrews.ac.uk

More information

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 184 parameters 1 restraint

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 184 parameters 1 restraint organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 2-(4-Amino-5-thioxo-4,5-dihydro-1H- 1,2,4-triazol-3-ylmethyl)isoindoline-1,3- dione Uzma Yunus, a Mohammad Kalim

More information

electronic reprint Masanari Hirahara, Shigeyuki Masaoka and Ken Sakai Crystallography Journals Online is available from journals.iucr.

electronic reprint Masanari Hirahara, Shigeyuki Masaoka and Ken Sakai Crystallography Journals Online is available from journals.iucr. ISSN 1600-5368 Inorganic compounds Metal-organic compounds Organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Editors: W.T. A. Harrison, J. Simpson and M. Weil Bis(2,2

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Bis(4,4 0 -bipyridinium) di-l-hydroxidobis[dihydroxido(pyridine-2,6-dicarboxylato)antimonate(iii,v)] octahydrate

More information

2-(3-Chloro-4-hydroxylphenyl)-N-(3,4- dimethyoxyphenethyl)acetamide. Author. Published. Journal Title DOI. Copyright Statement.

2-(3-Chloro-4-hydroxylphenyl)-N-(3,4- dimethyoxyphenethyl)acetamide. Author. Published. Journal Title DOI. Copyright Statement. 2-(3-Chloro-4-hydroxylphenyl)-N-(3,4- dimethyoxyphenethyl)acetamide Author Davis, Rohan, Healy, Peter Published 2008 Journal Title Acta Crystallographica. Section E: Structure reports online DOI https://doi.org/10.1107/s1600536808013299

More information

Z =4 Mo K radiation = 0.17 mm 1. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 205 parameters

Z =4 Mo K radiation = 0.17 mm 1. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 205 parameters organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 The energetic double salt nitroguanidinium nitrate guanidinium nitrate (1/1) Georg Steinhauser, a Margaret-Jane

More information

APPENDIX E. Crystallographic Data for TBA Eu(DO2A)(DPA) Temperature Dependence

APPENDIX E. Crystallographic Data for TBA Eu(DO2A)(DPA) Temperature Dependence APPENDIX E Crystallographic Data for TBA Eu(DO2A)(DPA) Temperature Dependence Temperature Designation CCDC Page 100 K MLC18 761599 E2 200 K MLC17 762705 E17 300 K MLC19 763335 E31 E2 CALIFORNIA INSTITUTE

More information

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 (2-Methoxy-1,3-phenylene)diboronic acid Marek Dąbrowski, Sergiusz Luliński* and Janusz Serwatowski Warsaw University

More information

Ethylenediaminium pyridine-2,5-dicarboxylate dihydrate

Ethylenediaminium pyridine-2,5-dicarboxylate dihydrate Ethylenediaminium pyridine-2,5-dicarboxylate dihydrate Author Smith, Graham, D. Wermuth, Urs, Young, David, Healy, Peter Published 2006 Journal Title Acta crystallographica. Section E, Structure reports

More information

CALIFORNIA INSTITUTE OF TECHNOLOGY BECKMAN INSTITUTE X-RAY CRYSTALLOGRAPHY LABORATORY

CALIFORNIA INSTITUTE OF TECHNOLOGY BECKMAN INSTITUTE X-RAY CRYSTALLOGRAPHY LABORATORY APPENDIX F Crystallographic Data for TBA Tb(DO2A)(F-DPA) CALIFORNIA INSTITUTE OF TECHNOLOGY BECKMAN INSTITUTE X-RAY CRYSTALLOGRAPHY LABORATORY Date 11 January 2010 Crystal Structure Analysis of: MLC23

More information

Structures of substituted pyridine N-oxide with manganese(ii) acetate

Structures of substituted pyridine N-oxide with manganese(ii) acetate research communications Structures of substituted pyridine N-oxide with manganese(ii) acetate ISSN 2056-9890 Will Lynch, a * Genevieve Lynch, b Kirk Sheriff a and Clifford Padgett a a Department of Chemistry

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Poly[ethylenediaminium [di-l-aqua-(l 6 - benzene-1,2,4,5-tetracarboxylatoj 10 O 1,O 10 :O 2,O 20 :O 20 :O

More information

organic compounds 2,4,6-Trimethylphenyl isocyanide

organic compounds 2,4,6-Trimethylphenyl isocyanide organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 Manuel A. Fernandes, Marcus Layh* and Bernard Omondi Molecular Sciences Institute, School of Chemistry,

More information

International Journal of Innovative Research in Science, Engineering and Technology. (An ISO 3297: 2007 Certified Organization)

International Journal of Innovative Research in Science, Engineering and Technology. (An ISO 3297: 2007 Certified Organization) ISSN(Online) 2319-8753 ISSN (Print) 2347-6710 (An ISO 3297 2007 Certified Organization) Website www.ijirset.com X-Ray Crystallographic Investigation and Crystal Structure of 6-(2-Hydroxy-4,6- dimethyl-phenyl)-4-(2-methoxy-phenyl)5-

More information

Ethylene Trimerization Catalysts Based on Chromium Complexes with a. Nitrogen-Bridged Diphosphine Ligand Having ortho-methoxyaryl or

Ethylene Trimerization Catalysts Based on Chromium Complexes with a. Nitrogen-Bridged Diphosphine Ligand Having ortho-methoxyaryl or Ethylene Trimerization Catalysts Based on Chromium Complexes with a Nitrogen-Bridged Diphosphine Ligand Having ortho-methoxyaryl or ortho-thiomethoxy Substituents: Well Defined Catalyst Precursors and

More information

Experimental. Crystal data. C 10 H 12 N 6 C 2 H 6 O M r = Monoclinic, C2=c a = (19) Å b = (2) Å c = (3) Å = 101.

Experimental. Crystal data. C 10 H 12 N 6 C 2 H 6 O M r = Monoclinic, C2=c a = (19) Å b = (2) Å c = (3) Å = 101. organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 4,4-Dimethyl-3,4-dihydropyrido- [2 0,3 0 :3,4]pyrazolo[1,5-a][1,3,5]triazin-2- amine ethanol monosolvate 1 Anton

More information

Data collection. (Sheldrick, 2008a)] T min = 0.191, T max = Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = 1.

Data collection. (Sheldrick, 2008a)] T min = 0.191, T max = Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = 1. inorganic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Tetrayttrium(III) trisulfide disilicate Lukasz A. Koscielski and James A. Ibers* Department of Chemistry, Northwestern

More information

Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center

Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center Supporting Information Connie C. Lu and Jonas C. Peters* Division of Chemistry and

More information

electronic reprint (P)-Tetra-μ 3 -iodido-tetrakis[(cyclohexyldiphenylphosphine-»p)silver(i)] John F. Young and Glenn P. A. Yap

electronic reprint (P)-Tetra-μ 3 -iodido-tetrakis[(cyclohexyldiphenylphosphine-»p)silver(i)] John F. Young and Glenn P. A. Yap Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Editors: W. Clegg and D. G. Watson (P)-Tetra-μ 3 -iodido-tetrakis[(cyclohexyldiphenylphosphine-»p)silver(i)] John F. Young and Glenn

More information

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 4-(2,3-Dimethylphenyl)piperazin-1-ium chloride monohydrate Data collection Nonius KappaCCD diffractometer Absorption

More information

Jimmy U. Franco, Marilyn M. Olmstead and Justin C. Hammons

Jimmy U. Franco, Marilyn M. Olmstead and Justin C. Hammons Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Editors: W. Clegg and D. G. Watson Tetra-μ 2 -acetato-» 8 O:O -bisf[1-(1-adamantyliminiomethyl)-2-naphtholato-»o]rhodium(ii)g 0

More information

Experimental. Crystal data. C 18 H 18 N 2 O 4 S M r = Monoclinic, P2 1 =n a = (3) Å b = (2) Å c = (5) Å = 104.

Experimental. Crystal data. C 18 H 18 N 2 O 4 S M r = Monoclinic, P2 1 =n a = (3) Å b = (2) Å c = (5) Å = 104. organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 N-(2,3-Dimethylphenyl)-4-hydroxy-2- methyl-2h-1,2-benzothiazine-3- carboxamide 1,1-dioxide Waseeq Ahmad Siddiqui,

More information

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 106 parameters 2 restraints

Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 106 parameters 2 restraints organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 2,4-Difluorophenylboronic acid Patricia Rodríguez-Cuamatzi, a Hugo Tlahuext b and Herbert Höpfl b * a Universidad

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 Aquachloro[N,N 0 -ethylenebis(salicylideneiminato)]manganese(iii) David MartõÂnez, Majid Motevalli

More information

b = (2) Å c = (3) Å = (10) V = (2) Å 3 Z =2 Data collection Refinement

b = (2) Å c = (3) Å = (10) V = (2) Å 3 Z =2 Data collection Refinement organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Benznidazole José Lamartine Soares-Sobrinho, a Marcílio S. S. Cunha- Filho, b Pedro José Rolim Neto, a Juan J.

More information

catena-poly[[[bis(cyclohexyldiphenylphosphine-»p)silver(i)]-μ-cyano-» 2 N:C-silver(I)-μ-cyano-» 2 C:N] dichloromethane solvate]

catena-poly[[[bis(cyclohexyldiphenylphosphine-»p)silver(i)]-μ-cyano-» 2 N:C-silver(I)-μ-cyano-» 2 C:N] dichloromethane solvate] Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Editors: W. Clegg and D. G. Watson catena-poly[[[bis(cyclohexyldiphenylphosphine-»p)silver(i)]-μ-cyano-» 2 N:C-silver(I)-μ-cyano-»

More information

organic compounds 3-Hydroxybenzaldehyde

organic compounds 3-Hydroxybenzaldehyde organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 3-Hydroxybenzaldehyde J. A. PaixaÄo, a * A. Matos Beja, a M. Ramos Silva, a L. Alte da Veiga a and A.

More information

organic compounds Hydrogen-bonding adducts of benzenepolycarboxylic acids with N,N-dimethylformamide: benzene-

organic compounds Hydrogen-bonding adducts of benzenepolycarboxylic acids with N,N-dimethylformamide: benzene- organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 Hydrogen-bonding adducts of benzenepolycarboxylic acids with N,N-dimethylformamide: benzene- 1,4-dicarboxylic

More information

metal-organic compounds

metal-organic compounds metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 [1-(5-Bromo-2-oxidobenzylidene)thiosemicarbazidato-j 3 O,N 1,S](pyridinejN)nickel(II) Fernanda Rosi Soares

More information