Information card for entry 8106659

Structure parameters

• Formula: C16 H15 Br N2 O2
• Calculated formula: C16 H15 Br N2 O2
• SMILES: Brc1ccc(O)c(c1)/C=N/c1ccc(cc1)C(=N\OC)\C
• Title of publication: Crystal structure of (E)-1-(4-(((E)-5-bromo-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C16H15BrN2O2
• Authors of publication: Zhao, Ji-Xing; Zhao, Li; Li, Peng-Peng; Wang, Fei; An, Qin-Qin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 731 - 732
• a: 33.758 ± 0.005 Å
• b: 7.1117 ± 0.0016 Å
• c: 6.2194 ± 0.0009 Å
• α: 90°
• β: 92.133 ± 0.013°
• γ: 90°
• Cell volume: 1492.1 ± 0.5 ų
• Cell temperature: 278 ± 4 K
• Ambient diffraction temperature: 278 ± 4 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: 0.0809
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No