Information card for entry 2226407

Structure parameters

• Chemical name: <i>N</i>-(2-Methylphenyl)maleamic acid
• Formula: C11 H11 N O3
• Calculated formula: C11 H11 N O3
• SMILES: O=C(Nc1c(cccc1)C)/C=C\C(=O)O
• Title of publication: <i>N</i>-(2-Methylphenyl)maleamic acid
• Authors of publication: Gowda, B. Thimme; Tokarčík, Miroslav; Shakuntala, K.; Kožíšek, Jozef; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1554
• a: 7.3942 ± 0.0003 Å
• b: 11.5898 ± 0.0004 Å
• c: 12.9903 ± 0.0003 Å
• α: 90°
• β: 114.534 ± 0.002°
• γ: 90°
• Cell volume: 1012.73 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes