Information card for entry 2217154

Structure parameters

• Chemical name: 3-(3-Chloro-4-methylphenyl)-2-(4-fluorophenyl)thiazolidin-4-one
• Formula: C16 H13 Cl F N O S
• Calculated formula: C16 H13 Cl F N O S
• SMILES: Fc1ccc(cc1)C1SCC(=O)N1c1ccc(c(c1)Cl)C
• Title of publication: 3-(3-Chloro-4-methylphenyl)-2-(4-fluorophenyl)thiazolidin-4-one
• Authors of publication: Xiao-Jun Sun; Jian-Feng Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o214 - o214
• a: 12.265 ± 0.003 Å
• b: 12.994 ± 0.003 Å
• c: 18.192 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2899.3 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• 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: 0.0613
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes