Information card for entry 8103320

Structure parameters

• Formula: C15 H13 Br N2 O2
• Calculated formula: C15 H13 Br N2 O2
• SMILES: Brc1ccc(O)c(/C=N/c2ccc(/C(=N/O)C)cc2)c1
• Title of publication: Crystal structure of 1-(4-{[(E)-5-bromo-2-hydroxybenzylidene]amino}phenyl)ethanone oxime, C15H13BrN2O2
• Authors of publication: Li Zhao; Xu-Tao Dong; Shou-Ting Zhang; Qian Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 101
• a: 15.7226 ± 0.0016 Å
• b: 13.9648 ± 0.0014 Å
• c: 6.1959 ± 0.0004 Å
• α: 90°
• β: 96.096 ± 0.001°
• γ: 90°
• Cell volume: 1352.7 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No