Information card for entry 2228948

Structure parameters

• Chemical name: <i>N</i>-Phenylsuccinamic acid
• Formula: C10 H11 N O3
• Calculated formula: C10 H11 N O3
• SMILES: c1(ccccc1)NC(=O)CCC(=O)O
• Title of publication: <i>N</i>-Phenylsuccinamic acid
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o249
• a: 4.986 ± 0.001 Å
• b: 25.108 ± 0.004 Å
• c: 7.895 ± 0.002 Å
• α: 90°
• β: 103.18 ± 0.02°
• γ: 90°
• Cell volume: 962.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1071
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes