Information card for entry 2222737

Structure parameters

• Chemical name: (<i>E</i>)-2-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile
• Formula: C14 H9 Br N2 O
• Calculated formula: C14 H9 Br N2 O
• SMILES: Brc1ccc(O)c(c1)/C=N/c1c(cccc1)C#N
• Title of publication: (<i>E</i>)-2-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile
• Authors of publication: Zhou, Jian-Cheng; Li, Nai-Xu; Zhang, Chuan-Ming; Zhang, Zheng-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1949
• a: 25.609 ± 0.008 Å
• b: 3.9299 ± 0.0012 Å
• c: 12.368 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1244.7 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes