Information card for entry 2221463

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-3-<i>p</i>-tolyl-1,3-thiazolidin-4-one
• Formula: C16 H14 Cl N O S
• Calculated formula: C16 H14 Cl N O S
• SMILES: C1(c2ccc(cc2)Cl)N(C(=O)CS1)c1ccc(cc1)C
• Title of publication: 2-(4-Chlorophenyl)-3-<i>p</i>-tolyl-1,3-thiazolidin-4-one
• Authors of publication: Sun, Xiao-Jun; Zhou, Jian-Feng; Zhang, Zai-Chao; Wang, Yu-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o874
• a: 12.1591 ± 0.0004 Å
• b: 13.0708 ± 0.0004 Å
• c: 18.5125 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2942.18 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes