Information card for entry 8105001

Structure parameters

• Formula: C16 H15 Br N2 O2
• Calculated formula: C16 H15 Br N2 O2
• Title of publication: Crystal structure of (E)-1-(4-(((E)-2-bromo-6-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C16H15BrN2O2
• Authors of publication: Ma, Jin-Xia; Wei, Ping; Li, Qing-Lin; Fu, Tao; Zhao, Ji-Xing; Zhao, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 19 - 20
• a: 10.9311 ± 0.0008 Å
• b: 3.9554 ± 0.0003 Å
• c: 16.5215 ± 0.0012 Å
• α: 90°
• β: 92.743 ± 0.002°
• γ: 90°
• Cell volume: 713.52 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No