Information card for entry 1542881

Structure parameters

• Chemical name: 4-Bromo-2-hydroxybenzoic acid
• Formula: C7 H5 Br O3
• Calculated formula: C7 H5 Br O3
• SMILES: Brc1cc(O)c(C(=O)O)cc1
• Title of publication: 4-Bromo-2-hydroxybenzoic acid
• Authors of publication: Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 3
• Pages of publication: x160325
• a: 3.9283 ± 0.0004 Å
• b: 5.9578 ± 0.0006 Å
• c: 15.1246 ± 0.0014 Å
• α: 92.925 ± 0.003°
• β: 90.62 ± 0.004°
• γ: 94.71 ± 0.004°
• Cell volume: 352.28 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes