Information card for entry 8105386

Structure parameters

• Formula: C15 H12 Br N O2
• Calculated formula: C15 H12 Br N O2
• SMILES: Brc1c(O)c(ccc1)/C=N/c1ccc(cc1)C(=O)C
• Title of publication: Synthesis and crystal structure of 1-{4-[(3-bromo-2-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12BrNO2
• Authors of publication: Jin, Yi; Fu, Tao; Ma, Bo-Yang; Wei, Ping; Zhao, Ji-Xing; Zhao, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1091 - 1092
• a: 11.7848 ± 0.0003 Å
• b: 10.0857 ± 0.0003 Å
• c: 12.2695 ± 0.0004 Å
• α: 90°
• β: 111.202 ± 0.001°
• γ: 90°
• Cell volume: 1359.62 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0448
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No