Information card for entry 2233760

Structure parameters

• Chemical name: <i>N</i>-(4-Chloro-3-nitrophenyl)maleamic acid
• Formula: C10 H7 Cl N2 O5
• Calculated formula: C10 H7 Cl N2 O5
• SMILES: Clc1c(N(=O)=O)cc(NC(=O)/C=C\C(=O)O)cc1
• Title of publication: <i>N</i>-(4-Chloro-3-nitrophenyl)maleamic acid
• Authors of publication: Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o873
• a: 9.7187 ± 0.0009 Å
• b: 13.596 ± 0.001 Å
• c: 8.499 ± 0.0009 Å
• α: 90°
• β: 99.64 ± 0.01°
• γ: 90°
• Cell volume: 1107.16 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1006
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes