Information card for entry 2213723

Structure parameters

• Chemical name: (E)-4-Methyl-2-[3-(trifluoromethyl)phenyliminomethyl]phenol
• Formula: C15 H12 F3 N O
• Calculated formula: C15 H12 F3 N O
• SMILES: c1(cc(ccc1O)C)/C=N/c1cccc(c1)C(F)(F)F
• Title of publication: (<i>E</i>)-4-Methyl-2-[3-(trifluoromethyl)phenyliminomethyl]phenol
• Authors of publication: Gül, Zarife Sibel; Erşahi̇n, Ferda; Aǧar, Erbi̇l; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2854 - o2854
• a: 16.617 ± 0.002 Å
• b: 4.7788 ± 0.0004 Å
• c: 21.169 ± 0.003 Å
• α: 90°
• β: 128.964 ± 0.009°
• γ: 90°
• Cell volume: 1307.1 ± 0.3 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: 0.1166
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes