Information card for entry 8106935

Structure parameters

• Formula: C15 H10 Br N O
• Calculated formula: C15 H10 Br N O
• Title of publication: Crystal structure of (Z)-2-((2-bromo-1-phenylvinyl)oxy)benzonitrile, C15H10BrNO
• Authors of publication: Shi, Da-Bin; Meng, Chao; Chen, Yong-Zheng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 547 - 548
• a: 12.567 ± 0.003 Å
• b: 8.717 ± 0.0017 Å
• c: 12.773 ± 0.003 Å
• α: 90°
• β: 111.41 ± 0.03°
• γ: 90°
• Cell volume: 1302.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1053
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No