Information card for entry 2201154

Structure parameters

• Chemical name: N-(4-Acetylphenyl)maleamic acid
• Formula: C12 H11 N O4
• Calculated formula: C12 H11 N O4
• SMILES: c1(ccc(C(=O)C)cc1)NC(=O)/C=C\C(=O)O
• Title of publication: <i>N</i>-(4-Acetylphenyl)maleamic acid
• Authors of publication: Daniel E. Lynch; Ian McClenaghan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o678 - o679
• a: 5.5577 ± 0.0003 Å
• b: 25.5016 ± 0.0014 Å
• c: 7.4588 ± 0.0005 Å
• α: 90°
• β: 95.134 ± 0.002°
• γ: 90°
• Cell volume: 1052.9 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0853
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes