Information card for entry 1548793

Structure parameters

• Common name: 2-{(E)-[(3-chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol
• Chemical name: 2-{(<i>E</i>)-[(3-Chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol
• Formula: C15 H11 Cl F3 N O2
• Calculated formula: C15 H11 Cl F3 N O2
• SMILES: Clc1c(ccc(/N=C/c2c(O)ccc(OC(F)(F)F)c2)c1)C
• Title of publication: 2-{(<i>E</i>)-[(3-Chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol
• Authors of publication: Atalay, Şehriman; Gerçeker, Semra; Meral, Seher; Bülbül, Hakan
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 12
• Pages of publication: x171725
• a: 4.5971 ± 0.0004 Å
• b: 6.4372 ± 0.0007 Å
• c: 25.237 ± 0.002 Å
• α: 86.984 ± 0.008°
• β: 86.173 ± 0.007°
• γ: 78.096 ± 0.008°
• Cell volume: 728.56 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1316
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes