Information card for entry 2224467

Structure parameters

• Chemical name: <i>N</i>-(2,5-Dichlorophenyl)maleamic acid
• Formula: C10 H7 Cl2 N O3
• Calculated formula: C10 H7 Cl2 N O3
• SMILES: OC(=O)/C=C\C(=O)Nc1cc(Cl)ccc1Cl
• Title of publication: <i>N</i>-(2,5-Dichlorophenyl)maleamic acid
• Authors of publication: Shakuntala, K.; Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3119
• a: 13.1618 ± 0.0002 Å
• b: 14.6993 ± 0.0002 Å
• c: 22.8406 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4418.95 ± 0.11 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: 0.035
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes