Information card for entry 2223745

Structure parameters

• Chemical name: <i>trans</i>-4,5-Dihydroxy-1,3-bis(4-methoxyphenyl)imidazolidine-2-thione
• Formula: C17 H18 N2 O4 S
• Calculated formula: C17 H18 N2 O4 S
• SMILES: COc1ccc(cc1)N1[C@@H](O)[C@@H](N(C1=S)c1ccc(cc1)OC)O.COc1ccc(cc1)N1[C@H](O)[C@H](N(C1=S)c1ccc(cc1)OC)O
• Title of publication: <i>trans</i>-4,5-Dihydroxy-1,3-bis(4-methoxyphenyl)imidazolidine-2-thione
• Authors of publication: Zhang, Zhenfeng; Wang, Jiange; Zhang, Guisheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2827
• a: 13.9807 ± 0.0012 Å
• b: 12.1789 ± 0.0011 Å
• c: 10.0958 ± 0.0009 Å
• α: 90°
• β: 93.815 ± 0.001°
• γ: 90°
• Cell volume: 1715.2 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes