Information card for entry 1519799

Structure parameters

• Formula: C7 H5 N O5
• Calculated formula: C7 H5 N O5
• SMILES: c1(c(ccc(c1)N(=O)=O)O)C(=O)O
• Title of publication: 2-Hydroxy-5-Nitrobenzoic Acid
• Authors of publication: Montis, Riccardo; Cridlin, Rachel; Horton, Peter N.; Male, Louise
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 343
• a: 5.1231 ± 0.0002 Å
• b: 8.7759 ± 0.0003 Å
• c: 9.2683 ± 0.0003 Å
• α: 62.246 ± 0.002°
• β: 75.259 ± 0.002°
• γ: 82.642 ± 0.002°
• Cell volume: 356.6 ± 0.02 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No