Information card for entry 2007512

Structure parameters

• Common name: 5,5-diphenyl-2-thiohydantoin
• Chemical name: 5,5-diphenyl-2-thioimidazolidine-4-one
• Formula: C15 H12 N2 O S
• Calculated formula: C15 H12 N2 O S
• SMILES: N1C(=S)NC(=O)C1(c1ccccc1)c1ccccc1
• Title of publication: 5,5-Diphenyl-2-thiohydantoin
• Authors of publication: Roszak, Aleksander W.; Weaver, Donald F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1168 - 1170
• a: 8.89 ± 0.002 Å
• b: 19.392 ± 0.002 Å
• c: 8.704 ± 0.002 Å
• α: 90°
• β: 118.48 ± 0.02°
• γ: 90°
• Cell volume: 1318.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for all reflections: 1.105
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No