Information card for entry 2216771

Structure parameters

• Chemical name: 2,4-Dibromo-6-(4-bromophenyliminomethyl)phenol
• Formula: C13 H8 Br3 N O
• Calculated formula: C13 H8 Br3 N O
• SMILES: Brc1c(O)c(cc(Br)c1)/C=N/c1ccc(Br)cc1
• Title of publication: 2,4-Dibromo-6-(4-bromophenyliminomethyl)phenol
• Authors of publication: Guo, Ming-Lin; Zhang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4558 - o4558
• a: 7.985 ± 0.003 Å
• b: 8.594 ± 0.003 Å
• c: 11.02 ± 0.004 Å
• α: 87.801 ± 0.006°
• β: 76.688 ± 0.007°
• γ: 65.18 ± 0.005°
• Cell volume: 666.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes