Information card for entry 8103367

Structure parameters

• Formula: C15 H12 Br2 N2 O2
• Calculated formula: C15 H12 Br2 N2 O2
• SMILES: Brc1c(O)c(/C=N/c2cc(C(=N\O)\C)ccc2)cc(Br)c1
• Title of publication: Crystal structure of 1-{3-[(E)-3,5-dibromo-2-hydroxybenzylideneamino]phenyl}ethanone oxime, C15H12Br2N2O2
• Authors of publication: Li Xu; Tian-Hao Zhao; Jiao Wang; Sen-Hua Liu; Guo-Hua Liu; Xi Fang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 187
• a: 12.6952 ± 0.0014 Å
• b: 9.3693 ± 0.0013 Å
• c: 13.8755 ± 0.0018 Å
• α: 90°
• β: 114.94 ± 0.001°
• γ: 90°
• Cell volume: 1496.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No