Information card for entry 2218029

Structure parameters

• Chemical name: 3,5-Dibromo-2-hydroxybenzaldehyde
• Formula: C7 H4 Br2 O2
• Calculated formula: C7 H4 Br2 O2
• SMILES: Brc1c(c(cc(Br)c1)C=O)O
• Title of publication: 3,5-Dibromo-2-hydroxybenzaldehyde
• Authors of publication: Fan, Ying; You, Wei; Qian, Hui-Fen; Liu, Jian-Lan; Huang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o799
• a: 16.474 ± 0.008 Å
• b: 14.025 ± 0.01 Å
• c: 7.531 ± 0.007 Å
• α: 90°
• β: 103.212 ± 0.002°
• γ: 90°
• Cell volume: 1694 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1014
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.788
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes