Information card for entry 2233966

Structure parameters

• Chemical name: 2-[(4-Bromophenylimino)methyl]-4,6-diiodophenol
• Formula: C13 H8 Br I2 N O
• Calculated formula: C13 H8 Br I2 N O
• SMILES: Ic1c(O)c(cc(I)c1)/C=N/c1ccc(Br)cc1
• Title of publication: 2-[(4-Bromophenylimino)methyl]-4,6-diiodophenol
• Authors of publication: Ji, Hao; Ma, Hua-Ping; Yang, Yong-An; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o788
• a: 7.987 ± 0.0013 Å
• b: 8.9811 ± 0.0014 Å
• c: 11.3907 ± 0.0018 Å
• α: 91.093 ± 0.002°
• β: 99.873 ± 0.002°
• γ: 114.57 ± 0.002°
• Cell volume: 728.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes