Information card for entry 2227041

Structure parameters

• Common name: 4-[1-(hydroxyimino)methyl]-<i>N</i>-(2-hydroxy-5-bromobenzylidene)aniline
• Chemical name: 4-Bromo-2-({4-[(hydroxyimino)methyl]phenyl}iminomethyl)phenol
• Formula: C14 H11 Br N2 O2
• Calculated formula: C14 H11 Br N2 O2
• SMILES: Brc1cc(c(O)cc1)/C=N/c1ccc(cc1)/C=N/O
• Title of publication: 4-Bromo-2-({4-[(hydroxyimino)methyl]phenyl}iminomethyl)phenol
• Authors of publication: Yang, Yu-Hua; Wu, Jian-Chao; Gong, Shang-Sheng; Wang, Jiu-Si
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2014
• a: 4.4279 ± 0.0005 Å
• b: 12.179 ± 0.0016 Å
• c: 23.196 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1250.9 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes