Information card for entry 2228230

Structure parameters

• Chemical name: 2-{[4-(Diethylamino)phenyl]iminomethyl}-4,6-diiodophenol
• Formula: C17 H18 I2 N2 O
• Calculated formula: C17 H18 I2 N2 O
• SMILES: Ic1cc(c(O)c(I)c1)/C=N/c1ccc(N(CC)CC)cc1
• Title of publication: 2-{[4-(Diethylamino)phenyl]iminomethyl}-4,6-diiodophenol
• Authors of publication: Thirugnan Sundar, A.; Rajagopal, G.; Murugavel, S.; Subbiah Pandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3089
• a: 11.5562 ± 0.0005 Å
• b: 11.1325 ± 0.0005 Å
• c: 15.1207 ± 0.0006 Å
• α: 90°
• β: 111.958 ± 0.002°
• γ: 90°
• Cell volume: 1804.16 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1046
• 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