Information card for entry 2233997

Structure parameters

• Chemical name: 2,4-Diiodo-6-[(propylimino)methyl]phenol
• Formula: C10 H11 I2 N O
• Calculated formula: C10 H11 I2 N O
• SMILES: Ic1cc(I)c(O)c(c1)/C=N/CCC
• Title of publication: 2,4-Diiodo-6-[(propylimino)methyl]phenol
• Authors of publication: Liu, Peng-Gang; Wang, Xiao-Ning; 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: o789
• a: 10.7019 ± 0.0014 Å
• b: 7.1483 ± 0.0009 Å
• c: 32.404 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2478.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes