Information card for entry 2232916

Structure parameters

• Chemical name: 2-Bromo-4-chloro-6-(cyclohexyliminomethyl)phenol
• Formula: C13 H15 Br Cl N O
• Calculated formula: C13 H15 Br Cl N O
• SMILES: Brc1c(O)c(cc(Cl)c1)/C=N/C1CCCCC1
• Title of publication: 2-Bromo-4-chloro-6-(cyclohexyliminomethyl)phenol
• Authors of publication: Wang, Dong-Yue; Meng, Xu-Feng; Ma, Jing-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3150
• a: 12.296 ± 0.002 Å
• b: 16.359 ± 0.003 Å
• c: 6.969 ± 0.001 Å
• α: 90°
• β: 101.634 ± 0.002°
• γ: 90°
• Cell volume: 1373 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes