Information card for entry 2233444

Structure parameters

• Common name: 5-Nitroantranilic acid
• Chemical name: 2-Amino-5-nitrobenzoic acid
• Formula: C7 H6 N2 O4
• Calculated formula: C7 H6 N2 O4
• SMILES: c1(c(cc(cc1)N(=O)=O)C(=O)O)N
• Title of publication: 2-Amino-5-nitrobenzoic acid
• Authors of publication: Odabaşoğlu, Hakkı Yasin; Büyükgüngör, Orhan; Avinç, Osman Ozan; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o511
• a: 3.7026 ± 0.0003 Å
• b: 17.4638 ± 0.0016 Å
• c: 11.6953 ± 0.001 Å
• α: 90°
• β: 92.21 ± 0.007°
• γ: 90°
• Cell volume: 755.67 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1268
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes