Information card for entry 2235553

Structure parameters

• Chemical name: 2-{(<i>E</i>)-[(3-Iodo-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol
• Formula: C15 H11 F3 I N O2
• Calculated formula: C15 H11 F3 I N O2
• SMILES: Oc1ccc(cc1/C=N/c1ccc(c(c1)I)C)OC(F)(F)F
• Title of publication: 2-{(<i>E</i>)-[(3-Iodo-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol
• Authors of publication: Pekdemir, Merve; Işık, Şamil; Alaman Ağar, Ayşen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2148
• a: 4.6733 ± 0.0003 Å
• b: 6.6441 ± 0.0005 Å
• c: 25.2825 ± 0.0019 Å
• α: 86.97 ± 0.006°
• β: 86.386 ± 0.006°
• γ: 78.087 ± 0.005°
• Cell volume: 765.94 ± 0.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes