Information card for entry 2226729

Structure parameters

• Chemical name: <i>N</i>-(3,4-Dichlorophenyl)maleamic acid
• Formula: C10 H7 Cl2 N O3
• Calculated formula: C10 H7 Cl2 N O3
• SMILES: O=C(Nc1ccc(c(c1)Cl)Cl)/C=C\C(=O)O
• Title of publication: <i>N</i>-(3,4-Dichlorophenyl)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: o1642
• a: 7.1959 ± 0.0007 Å
• b: 11.6234 ± 0.001 Å
• c: 13.1399 ± 0.0014 Å
• α: 85.116 ± 0.008°
• β: 75.06 ± 0.009°
• γ: 81.205 ± 0.007°
• Cell volume: 1048.19 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes