Information card for entry 2223646

Structure parameters

• Chemical name: <i>N</i>-(2,6-Dimethylphenyl)maleamic acid
• Formula: C12 H13 N O3
• Calculated formula: C12 H13 N O3
• SMILES: O=C(Nc1c(C)cccc1C)/C=C\C(=O)O
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)maleamic acid
• Authors of publication: Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Shakuntala, K.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2807
• a: 12.5268 ± 0.0004 Å
• b: 12.9226 ± 0.0004 Å
• c: 14.6835 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2376.95 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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 all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes