Information card for entry 2214631

Structure parameters

• Chemical name: (<i>E</i>)-2-Methyl-6-[3-(trifluoromethyl)phenyliminomethyl]phenol
• Formula: C15 H12 F3 N O
• Calculated formula: C15 H12 F3 N O
• SMILES: Cc1cccc(c1O)/C=N/c1cccc(c1)C(F)(F)F
• Title of publication: (<i>E</i>)-2-Methyl-6-[3-(trifluoromethyl)phenyliminomethyl]phenol
• Authors of publication: Akkaya, Abdullah; Erşahin, Ferda; Şenel, İsmet; Aǧar, Erbil; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3555 - o3555
• a: 6.1462 ± 0.0004 Å
• b: 14.2873 ± 0.0008 Å
• c: 14.8352 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1302.72 ± 0.16 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: 0.089
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.242
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes