Information card for entry 2232562

Structure parameters

• Chemical name: <i>N</i>-(4-Chloro-2-methylphenyl)maleamic acid
• Formula: C11 H10 Cl N O3
• Calculated formula: C11 H10 Cl N O3
• SMILES: O=C(Nc1ccc(cc1C)Cl)/C=C\C(=O)O
• Title of publication: <i>N</i>-(4-Chloro-2-methylphenyl)maleamic acid
• Authors of publication: Shakuntala, K.; Vrábel, Viktor; Gowda, B. Thimme; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3317
• a: 12.131 ± 0.0011 Å
• b: 7.399 ± 0.0007 Å
• c: 25.466 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2285.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0893
• 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