Information card for entry 2212446

Structure parameters

• Chemical name: 2-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-4-one
• Formula: C15 H12 Cl N O S
• Calculated formula: C15 H12 Cl N O S
• SMILES: Clc1ccc(cc1)C1SCC(=O)N1c1ccccc1
• Title of publication: 2-(4-Chlorophenyl)-3-phenyl-1,3-thiazolidin-4-one
• Authors of publication: Doreswamy, S.; Jayalakshmi, K.; Sridhar, M. A.; Rangappa, K. S.; Shashidhara Prasad, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1457 - o1458
• a: 9.726 ± 0.001 Å
• b: 13.752 ± 0.002 Å
• c: 10.397 ± 0.001 Å
• α: 90°
• β: 97.887 ± 0.005°
• γ: 90°
• Cell volume: 1377.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1099
• 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