Information card for entry 2016105

Structure parameters

• Common name: L-5-benzylhydantoin monohydrate
• Chemical name: (S)-5-Benzylimidazolidine-2,4-dione monohydrate
• Formula: C10 H12 N2 O3
• Calculated formula: C10 H12 N2 O3
• SMILES: N1C(=O)NC(=O)[C@@H]1Cc1ccccc1.O
• Title of publication: (<i>S</i>)-5-Benzylimidazolidine-2,4-dione monohydrate
• Authors of publication: Delgado, Gerzon E.; Mora, Asiloé J.; Uzcátegui, Jorge; Bahsas, Ali; Briceño, Alexander
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o448 - o450
• a: 6.229 ± 0.002 Å
• b: 6.244 ± 0.003 Å
• c: 14.475 ± 0.003 Å
• α: 90°
• β: 99.05 ± 0.03°
• γ: 90°
• Cell volume: 556 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes