Information card for entry 2224433

Structure parameters

• Chemical name: (<i>E</i>)-4-Methoxy-2-[3-(trifluoromethyl)phenyliminomethyl]phenol
• Formula: C15 H12 F3 N O2
• Calculated formula: C15 H12 F3 N O2
• SMILES: COc1ccc(c(c1)/C=N/c1cccc(c1)C(F)(F)F)O
• Title of publication: (<i>E</i>)-4-Methoxy-2-[3-(trifluoromethyl)phenyliminomethyl]phenol
• Authors of publication: Keleşoğlu, Zeynep; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3245 - o3246
• a: 13.4771 ± 0.0007 Å
• b: 6.4526 ± 0.0002 Å
• c: 31.7097 ± 0.0015 Å
• α: 90°
• β: 92.647 ± 0.004°
• γ: 90°
• Cell volume: 2754.6 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0883
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes