Information card for entry 2225367

Structure parameters

• Chemical name: (<i>E</i>)-2-[(3-Fluorophenyl)iminomethyl]-4-(trifluoromethoxy)phenol
• Formula: C14 H9 F4 N O2
• Calculated formula: C14 H9 F4 N O2
• SMILES: Fc1cccc(c1)/N=C/c1cc(ccc1O)OC(F)(F)F
• Title of publication: (<i>E</i>)-2-[(3-Fluorophenyl)iminomethyl]-4-(trifluoromethoxy)phenol
• Authors of publication: Bingöl Alpaslan, Yelda; Alpaslan, Gökhan; Ağar, Ayşen; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o510
• a: 14.223 ± 0.002 Å
• b: 7.0894 ± 0.0006 Å
• c: 13.2479 ± 0.0019 Å
• α: 90°
• β: 100.91 ± 0.011°
• γ: 90°
• Cell volume: 1311.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1341
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes