Information card for entry 2226833

Structure parameters

• Chemical name: 3-Hydroxymethyl-1-(4-methoxyphenyl)imidazolidine-2,4-dione
• Formula: C11 H12 N2 O4
• Calculated formula: C11 H12 N2 O4
• SMILES: O(C)c1ccc(N2C(=O)N(C(=O)C2)CO)cc1
• Title of publication: 3-Hydroxymethyl-1-(4-methoxyphenyl)imidazolidine-2,4-dione
• Authors of publication: Cheng, Xian-Chao; Hou, Jing-Jing; Wang, Run-Ling; Dong, Wei-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2027
• a: 21.28 ± 0.004 Å
• b: 6.3309 ± 0.0013 Å
• c: 7.8813 ± 0.0016 Å
• α: 90°
• β: 100.52 ± 0.03°
• γ: 90°
• Cell volume: 1043.9 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes