Information card for entry 2239766

Structure parameters

• Chemical name: 4-Bromo-2-[(phenylimino)methyl]phenol
• Formula: C13 H10 Br N O
• Calculated formula: C13 H10 Br N O
• SMILES: Brc1ccc(c(c1)/C=N/c1ccccc1)O
• Title of publication: 4-Bromo-2-[(phenylimino)methyl]phenol
• Authors of publication: Yan, Xu-Xiu; Lu, Li-Ping; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o853
• a: 12.353 ± 0.003 Å
• b: 4.5092 ± 0.0009 Å
• c: 19.778 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1101.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes