Information card for entry 8102828

Structure parameters

• Chemical name: 2-Bromo-4-chloro-6-[(2,4-dimethyl-phenylimino)- methyl]phenol, C~15~H~13~BrClNO
• Formula: C15 H13 Br Cl N O
• Calculated formula: C15 H13 Br Cl N O
• SMILES: Brc1c(O)c(/C=N/c2c(cc(cc2)C)C)cc(Cl)c1
• Title of publication: Crystal structure of 2-bromo-4-chloro-6-[(2,4-dimethylphenylimino)methyl]phenol, C15H13BrClNO
• Authors of publication: Xin-Li Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 709
• a: 4.2995 ± 0.0003 Å
• b: 21.779 ± 0.002 Å
• c: 15.1397 ± 0.0016 Å
• α: 90°
• β: 95.593 ± 0.001°
• γ: 90°
• Cell volume: 1410.9 ± 0.2 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: 0.0861
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No