Information card for entry 2235215

Structure parameters

• Chemical name: 2-[(2,6-Diisopropylphenyl)iminomethyl]-4-iodophenol
• Formula: C19 H22 I N O
• Calculated formula: C19 H22 I N O
• SMILES: c1(c(ccc(c1)I)O)/C=N/c1c(cccc1C(C)C)C(C)C
• Title of publication: 2-[(2,6-Diisopropylphenyl)iminomethyl]-4-iodophenol
• Authors of publication: Balamurugan, P.; Raja, K. Kanmani; Bilal, I. Mohammed; Chakkaravarthi, G.; Rajagopal, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1915
• a: 5.9891 ± 0.0002 Å
• b: 12.427 ± 0.0005 Å
• c: 25.8832 ± 0.001 Å
• α: 83.065 ± 0.002°
• β: 84.86 ± 0.003°
• γ: 76.408 ± 0.002°
• Cell volume: 1855 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes