Information card for entry 2238237

Structure parameters

• Chemical name: 2,4-Dibromo-6-{[(5-chloro-2-methylphenyl)imino]methyl}phenol
• Formula: C14 H10 Br2 Cl N O
• Calculated formula: C14 H10 Br2 Cl N O
• SMILES: Brc1cc(Br)c(O)c(/C=N/c2cc(Cl)ccc2C)c1
• Title of publication: 2,4-Dibromo-6-{[(5-chloro-2-methylphenyl)imino]methyl}phenol
• Authors of publication: Zheng, Yunfa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1190
• a: 31.603 ± 0.005 Å
• b: 6.1828 ± 0.001 Å
• c: 14.89 ± 0.002 Å
• α: 90°
• β: 102.594 ± 0.015°
• γ: 90°
• Cell volume: 2839.4 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes