Information card for entry 2227264

Structure parameters

• Chemical name: 2-[(2-Bromophenyl)iminomethyl]-6-methylphenol
• Formula: C14 H12 Br N O
• Calculated formula: C14 H12 Br N O
• SMILES: Brc1c(/N=C/c2c(O)c(ccc2)C)cccc1
• Title of publication: 2-[(2-Bromophenyl)iminomethyl]-6-methylphenol
• Authors of publication: Karadağ, Aslı Tosyalı; Atalay, Şehriman; Genç, Hasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2977
• a: 7.9407 ± 0.0004 Å
• b: 11.6754 ± 0.0008 Å
• c: 13.196 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1223.41 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes