Information card for entry 2231182

Structure parameters

• Common name: 3,5-Dibromosalicylaldoxime
• Chemical name: 2,4-Dibromo-6-[(hydroxyimino)methyl]phenol
• Formula: C7 H5 Br2 N O2
• Calculated formula: C7 H5 Br2 N O2
• SMILES: Brc1c(O)c(/C=N/O)cc(Br)c1
• Title of publication: 2,4-Dibromo-6-[(hydroxyimino)methyl]phenol
• Authors of publication: Luo, Yang-Hui; Xu, Jian; Pan, Mei-Ling; Li, Jin-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2099
• a: 4.259 ± 0.0005 Å
• b: 8.6742 ± 0.0007 Å
• c: 12.0831 ± 0.0011 Å
• α: 74.171 ± 0.001°
• β: 82.248 ± 0.002°
• γ: 79.028 ± 0.001°
• Cell volume: 419.98 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes