Information card for entry 2010775

Structure parameters

• Chemical name: 2-bromo-5-hydroxybenzaldehyde
• Formula: C7 H5 Br O2
• Calculated formula: C7 H5 Br O2
• SMILES: Brc1c(cc(O)cc1)C=O
• Title of publication: 2-Bromo-5-hydroxybenzaldehyde
• Authors of publication: Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; d'A. Rocha Gonsalves, A. M.; Serra, A. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 354 - 355
• a: 3.974 ± 0.003 Å
• b: 9.164 ± 0.008 Å
• c: 19.172 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 698.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes