Information card for entry 2217056

Structure parameters

• Chemical name: 3,5-Dibromo-2-hydroxybenzoic acid
• Formula: C7 H4 Br2 O3
• Calculated formula: C7 H4 Br2 O3
• SMILES: Brc1cc(C(=O)O)c(O)c(Br)c1
• Title of publication: 3,5-Dibromo-2-hydroxybenzoic acid
• Authors of publication: Chong-Bo Liu; Dan-Dan Chen; Hui-Liang Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o3 - o3
• a: 10.77 ± 0.003 Å
• b: 11.082 ± 0.003 Å
• c: 14.879 ± 0.004 Å
• α: 90°
• β: 105.606 ± 0.003°
• γ: 90°
• Cell volume: 1710.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes