Information card for entry 2234901

Structure parameters

• Chemical name: 5-Diethylamino-2-{(<i>E</i>)-[(3-iodophenyl)imino]methyl}phenol
• Formula: C17 H19 I N2 O
• Calculated formula: C17 H19 I N2 O
• SMILES: c1(cc(ccc1)I)/N=C/c1ccc(cc1O)N(CC)CC
• Title of publication: 5-Diethylamino-2-{(<i>E</i>)-[(3-iodophenyl)imino]methyl}phenol
• Authors of publication: Vesek, Hilal; Kazak, Canan; Ağar, Erbil; Gümüş, Sümeyye
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1963
• a: 6.6999 ± 0.0006 Å
• b: 15.248 ± 0.002 Å
• c: 16.1195 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1646.8 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes