Information card for entry 8103204

Structure parameters

• Formula: C13 H8 Br2 Cl N O
• Calculated formula: C13 H8 Br2 Cl N O
• SMILES: Brc1c(O)c(cc(Cl)c1)/C=N/c1ccc(Br)cc1
• Title of publication: Crystal structure of 2-bromo-4-chloro-6-[(4-bromo-phenylimino)methyl]phenol, C13H8Br2ClNO
• Authors of publication: Xin-Li Zhang; Ya-Ning Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 521
• a: 7.941 ± 0.005 Å
• b: 8.486 ± 0.006 Å
• c: 11.024 ± 0.008 Å
• α: 86.83 ± 0.03°
• β: 75.39 ± 0.03°
• γ: 64.5 ± 0.02°
• Cell volume: 647.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No