Information card for entry 2216390

Structure parameters

• Chemical name: 2,4-Dibromo-6-(4-iodophenyliminomethyl)phenol
• Formula: C13 H8 Br2 I N O
• Calculated formula: C13 H8 Br2 I N O
• SMILES: Ic1ccc(/N=C/c2c(O)c(Br)cc(Br)c2)cc1
• Title of publication: 2,4-Dibromo-6-(4-iodophenyliminomethyl)phenol
• Authors of publication: Ming-Lin Guo; Xiu-Ru Nong; Heng Yin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4640 - o4640
• a: 8.0213 ± 0.0017 Å
• b: 8.5936 ± 0.0018 Å
• c: 11.29 ± 0.002 Å
• α: 87.066 ± 0.003°
• β: 76.541 ± 0.004°
• γ: 66.203 ± 0.003°
• Cell volume: 691.7 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0864
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes