Information card for entry 2218480

Structure parameters

• Chemical name: <i>trans</i>-5-(4-Chlorophenyl)<i>-N</i>-cyclohexyl-4-methyl-2-oxo-1,3- thiazolidine-3-carboxamide
• Formula: C17 H21 Cl N2 O2 S
• Calculated formula: C17 H21 Cl N2 O2 S
• SMILES: c1(ccc(cc1)[C@@H]1[C@@H](C)N(C(=O)S1)C(=O)NC1CCCCC1)Cl.c1(ccc(cc1)[C@H]1[C@H](C)N(C(=O)S1)C(=O)NC1CCCCC1)Cl
• Title of publication: <i>trans</i>-5-(4-Chlorophenyl)<i>-N</i>-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
• Authors of publication: Yu, Ying-Hui; Liu, Ji-Long; Niu, Li-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1019
• a: 10.284 ± 0.004 Å
• b: 11.799 ± 0.005 Å
• c: 15.902 ± 0.005 Å
• α: 90°
• β: 111.83 ± 0.014°
• γ: 90°
• Cell volume: 1791.2 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes