Information card for entry 8101206

Structure parameters

• Common name: 5-phenylhydantoic acid
• Formula: C9 H10 N2 O3
• Calculated formula: C9 H10 N2 O3
• SMILES: C(=O)(O)CNC(=O)Nc1ccccc1
• Title of publication: Crystal structure of 5-phenylhydantoic acid, C~6~H~5~NHCONHCH~2~COOH
• Authors of publication: Isea, Raúl; Capparelli, Mario V.; Gómez, Dora; Gil, Herminia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 167 - 168
• a: 9.456 ± 0.006 Å
• b: 11.218 ± 0.003 Å
• c: 8.658 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 918.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0915
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No