Information card for entry 2236759

Structure parameters

• Chemical name: (<i>E</i>)-1-[(3-Iodophenyl)iminomethyl]naphthalen-2-ol
• Formula: C17 H12 I N O
• Calculated formula: C17 H12 I N O
• SMILES: Ic1cc(/N=C/c2c(O)ccc3c2cccc3)ccc1
• Title of publication: (<i>E</i>)-1-[(3-Iodophenyl)iminomethyl]naphthalen-2-ol
• Authors of publication: Akbal, Tufan; Ağar Alaman, Ayşen; Gümüş, Sümeyye; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3027
• a: 32.059 ± 0.003 Å
• b: 4.8392 ± 0.0003 Å
• c: 19.2682 ± 0.0016 Å
• α: 90°
• β: 107.269 ± 0.006°
• γ: 90°
• Cell volume: 2854.5 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.086
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes