Information card for entry 2223426

Structure parameters

• Chemical name: <i>trans</i>-4,5-Dihydroxy-1,3-diphenylimidazolidine-2-thione
• Formula: C15 H14 N2 O2 S
• Calculated formula: C15 H14 N2 O2 S
• SMILES: S=C1N([C@@H](O)[C@H](O)N1c1ccccc1)c1ccccc1.S=C1N([C@H](O)[C@@H](O)N1c1ccccc1)c1ccccc1
• Title of publication: <i>trans</i>-4,5-Dihydroxy-1,3-diphenylimidazolidine-2-thione
• Authors of publication: Zhang, Zhenfeng; Wei, Meilin; Wang, Jiange; Zhang, Guisheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2389
• a: 20.5119 ± 0.0004 Å
• b: 7.102 ± 0.0004 Å
• c: 9.6659 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1408.08 ± 0.09 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes