Information card for entry 2230059

Structure parameters

• Chemical name: (<i>Z</i>)-<i>N</i>-{3-[(6-Chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide
• Formula: C10 H9 Cl N4 S
• Calculated formula: C10 H9 Cl N4 S
• SMILES: N#C/N=C1\SCCN1Cc1ccc(nc1)Cl
• Title of publication: (<i>Z</i>)-<i>N</i>-{3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
• Authors of publication: Gao, Jin-Sheng; Qiao, Jun; Yu, Ying-Hui; Hou, Guang-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1140
• a: 7.1294 ± 0.0014 Å
• b: 35.469 ± 0.007 Å
• c: 9.0211 ± 0.0018 Å
• α: 90°
• β: 97.8 ± 0.03°
• γ: 90°
• Cell volume: 2260.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes