Information card for entry 2219294

Structure parameters

• Chemical name: 2-Benzyliminomethyl-6-bromo-4-chlorophenol
• Formula: C14 H11 Br Cl N O
• Calculated formula: C14 H11 Br Cl N O
• SMILES: Brc1c(O)c(/C=N/Cc2ccccc2)cc(Cl)c1
• Title of publication: 2-Benzyliminomethyl-6-bromo-4-chlorophenol
• Authors of publication: Pu, Xiao-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1734
• a: 4.3334 ± 0.0008 Å
• b: 12.8976 ± 0.0014 Å
• c: 23.892 ± 0.002 Å
• α: 90°
• β: 92.992 ± 0.001°
• γ: 90°
• Cell volume: 1333.5 ± 0.3 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: 0.0912
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes