Information card for entry 2241471

Structure parameters

• Chemical name: (<i>S</i>)-(+)-5-(3-Bromo-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione
• Formula: C13 H15 Br N2 O3
• Calculated formula: C13 H15 Br N2 O3
• SMILES: Brc1cc([C@@]2(NC(=O)NC2=O)C)ccc1OC(C)C
• Title of publication: Crystal structures of (<i>S</i>)-(+)-5-(3-bromo/chloro-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione
• Authors of publication: Ohba, Shigeru; Koura, Minoru; Sumida, Hisashi; Shibuya, Kimiyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 184 - 187
• a: 6.184 ± 0.0003 Å
• b: 9.6495 ± 0.0004 Å
• c: 23.1111 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1379.1 ± 0.11 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No