Information card for entry 2232837

Structure parameters

• Chemical name: (<i>Z</i>)-<i>N</i>-{3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2- ylidene}cyanamide
• Formula: C8 H7 Cl N4 S2
• Calculated formula: C8 H7 Cl N4 S2
• SMILES: S1C(=N\C#N)/N(Cc2sc(Cl)nc2)CC1
• Title of publication: (<i>Z</i>)-<i>N</i>-{3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
• Authors of publication: Li, Yue-Ming; Li, Jian-Ye; Wang, Qian; Hao, Ai-You; Sun, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3303
• a: 9.6331 ± 0.0012 Å
• b: 11.2657 ± 0.0014 Å
• c: 10.7675 ± 0.0013 Å
• α: 90°
• β: 112.433 ± 0.002°
• γ: 90°
• Cell volume: 1080.1 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes