Information card for entry 2233723

Structure parameters

• Chemical name: (<i>E</i>)-2-{[(2-(Trifluoromethyl)phenyl]iminomethyl}phenol
• Formula: C14 H10 F3 N O
• Calculated formula: C14 H10 F3 N O
• SMILES: c1(c(cccc1)O)/C=N/c1ccccc1C(F)(F)F
• Title of publication: (<i>E</i>)-2-{[(2-(Trifluoromethyl)phenyl]iminomethyl}phenol
• Authors of publication: Odabaşoğlu, Hakkı Yasin; Büyükgüngör, Orhan; Avinç, Osman Ozan; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o578
• a: 17.9907 ± 0.0018 Å
• b: 5.0898 ± 0.0004 Å
• c: 13.2564 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1213.88 ± 0.18 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes