Information card for entry 2235654

Structure parameters

• Chemical name: 6-Bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenol
• Formula: C15 H12 Br Cl N2 O4
• Calculated formula: C15 H12 Br Cl N2 O4
• SMILES: Clc1cc(/N=C/c2c(N(=O)=O)c(OC)c(O)c(Br)c2)ccc1C
• Title of publication: 6-Bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenol
• Authors of publication: Zhu, Hui; Jiang, Hui-Hui; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2023
• a: 18.288 ± 0.002 Å
• b: 8.713 ± 0.003 Å
• c: 19.018 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3030.4 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes