Information card for entry 2231438

Structure parameters

• Chemical name: 2,4-Diiodo-6-{[4-(morpholin-4-yl)phenyl]iminomethyl}phenol
• Formula: C17 H16 I2 N2 O2
• Calculated formula: C17 H16 I2 N2 O2
• SMILES: Ic1c(O)c(cc(I)c1)/C=N/c1ccc(N2CCOCC2)cc1
• Title of publication: 2,4-Diiodo-6-{[4-(morpholin-4-yl)phenyl]iminomethyl}phenol
• Authors of publication: Manvizhi, K.; Chakkaravarthi, G.; Anbalagan, G.; Rajagopal, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2500
• a: 26.4133 ± 0.0016 Å
• b: 7.6598 ± 0.0004 Å
• c: 18.0332 ± 0.0011 Å
• α: 90°
• β: 91.417 ± 0.002°
• γ: 90°
• Cell volume: 3647.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes