Information card for entry 2215713

Structure parameters

• Chemical name: (<i>Z</i>)-3-(2-aminophenylcarbamoyl)propenoic acid
• Formula: C10 H10 N2 O3
• Calculated formula: C10 H10 N2 O3
• SMILES: C(=O)(/C=C\C(=O)Nc1c(cccc1)N)O
• Title of publication: <i>N</i>-(2-Aminophenyl)maleamic acid
• Authors of publication: Santos-Sánchez, Norma Francenia; Salas-Coronado, Raúl; Peña-Hueso, Adrián; Flores-Parra, Angelina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4156 - o4156
• a: 7.3899 ± 0.0002 Å
• b: 12.2135 ± 0.0003 Å
• c: 12.2633 ± 0.0003 Å
• α: 90°
• β: 119.726 ± 0.001°
• γ: 90°
• Cell volume: 961.19 ± 0.04 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 291 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: 0.1074
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.1297
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes