Information card for entry 2008203

Structure parameters

• Chemical name: 5-(4-pyridyl)-5-phenylhydantoin
• Formula: C14 H11 N3 O2
• Calculated formula: C14 H11 N3 O2
• SMILES: C1(=O)NC(=O)[C@](N1)(c1ccccc1)c1ccncc1
• Title of publication: 5-(4-Pyridyl)-5-phenylhydantoin
• Authors of publication: Eknoian, Michael W.; Webb, Thomas R.; Worley, S. Davis; Braswell, Anthony; Hadley, Johnathan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 405 - 407
• a: 7.268 ± 0.002 Å
• b: 12.747 ± 0.002 Å
• c: 13.357 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1237.5 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for all reflections: 1.111
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No