Information card for entry 2231947

Structure parameters

• Chemical name: 3-Benzyl-2-phenyl-1,3-thiazolidin-4-one
• Formula: C16 H15 N O S
• Calculated formula: C16 H15 N O S
• SMILES: S1CC(=O)N(Cc2ccccc2)C1c1ccccc1
• Title of publication: 3-Benzyl-2-phenyl-1,3-thiazolidin-4-one
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Shanmugavelan, Poovan; Ponnuswamy, Alagusundaram; Jagatheesan, Rathinavel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2706
• a: 13.5734 ± 0.0015 Å
• b: 10.1402 ± 0.0011 Å
• c: 10.1496 ± 0.0011 Å
• α: 90°
• β: 104.305 ± 0.002°
• γ: 90°
• Cell volume: 1353.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes