Information card for entry 2221849

Structure parameters

• Common name: <i>N</i>-Phenylmaleamic acid
• Chemical name: 4-amino-4-oxobut-2-enoic acid
• Formula: C10 H9 N O3
• Calculated formula: C10 H9 N O3
• SMILES: O=C(Nc1ccccc1)/C=C\C(=O)O
• Title of publication: <i>N</i>-Phenylmaleamic acid
• Authors of publication: Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1101
• a: 12.7505 ± 0.0004 Å
• b: 10.5849 ± 0.0005 Å
• c: 14.1918 ± 0.0006 Å
• α: 90°
• β: 116.299 ± 0.003°
• γ: 90°
• Cell volume: 1717.11 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.122
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes