Information card for entry 2233772

Structure parameters

• Chemical name: 2-[(2-Chlorophenyl)iminomethyl]-4,6-diiodophenol
• Formula: C13 H8 Cl I2 N O
• Calculated formula: C13 H8 Cl I2 N O
• SMILES: Ic1cc(/C=N/c2ccccc2Cl)c(c(c1)I)O
• Title of publication: 2-[(2-Chlorophenyl)iminomethyl]-4,6-diiodophenol
• Authors of publication: Ji, Hao; Yang, Yong-An; Ma, Hua-Ping; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o841
• a: 15.8432 ± 0.0017 Å
• b: 6.9942 ± 0.0008 Å
• c: 13.1975 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1462.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes