Information card for entry 2230648

Structure parameters

• Chemical name: 5-Benzylidene-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
• Formula: C22 H16 N2 O S
• Calculated formula: C22 H16 N2 O S
• SMILES: O=C1C(=C/c2ccccc2)/SC(=N\c2ccccc2)/N1c1ccccc1
• Title of publication: 5-Benzylidene-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
• Authors of publication: Zeller, Matthias; Satam, Vijay; Bandi, Ravi Kumar; Behera, Ajaya Kumar; Mishra, Bijay Kumar; Pati, Hari; Lee, Moses
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1781 - o1782
• a: 10.7814 ± 0.0009 Å
• b: 32.779 ± 0.003 Å
• c: 9.8907 ± 0.0008 Å
• α: 90°
• β: 98.392 ± 0.001°
• γ: 90°
• Cell volume: 3458 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes