Information card for entry 2233204

Structure parameters

• Chemical name: 2-(2-Nitroanilino)benzoic acid
• Formula: C13 H10 N2 O4
• Calculated formula: C13 H10 N2 O4
• SMILES: N(c1ccccc1C(=O)O)c1c(N(=O)=O)cccc1
• Title of publication: 2-(2-Nitroanilino)benzoic acid
• Authors of publication: Zhu, Xiao-Lin; Shi, Lu; Jiang, Peng; Zhu, Tian-Hao; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o213
• a: 7.184 ± 0.0014 Å
• b: 21.546 ± 0.004 Å
• c: 7.907 ± 0.0016 Å
• α: 90°
• β: 101.62 ± 0.03°
• γ: 90°
• Cell volume: 1198.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0923
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes