Information card for entry 2220303

Structure parameters

• Chemical name: N-[(<i>Z</i>)-3-(4-Chlorobenzoyl)-1,3-thiazolidin-2-ylidene]cyanamide
• Formula: C11 H8 Cl N3 O S
• Calculated formula: C11 H8 Cl N3 O S
• SMILES: S1/C(=N\C#N)N(C(=O)c2ccc(Cl)cc2)CC1
• Title of publication: <i>N</i>-[(<i>Z</i>)-3-(4-Chlorobenzoyl)-1,3-thiazolidin-2-ylidene]cyanamide
• Authors of publication: Wang, Jian-Gang; Huang, Li-Hua; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2321
• a: 16.442 ± 0.003 Å
• b: 5.6798 ± 0.0011 Å
• c: 13.313 ± 0.003 Å
• α: 90°
• β: 112.76 ± 0.03°
• γ: 90°
• Cell volume: 1146.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0274
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes