Information card for entry 2211773

Structure parameters

• Chemical name: (E)-3-[2-(Trifluoromethyl)phenyliminomethyl]benzene-1,2-diol
• Formula: C14 H10 F3 N O2
• Calculated formula: C14 H10 F3 N O2
• SMILES: c1(c(c(ccc1)O)O)/C=N/c1ccccc1C(F)(F)F
• Title of publication: (<i>E</i>)-3-[2-(Trifluoromethyl)phenyliminomethyl]benzene-1,2-diol
• Authors of publication: Temel, Ersin; Albayrak, Çiĝdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o374 - o376
• a: 7.5806 ± 0.0005 Å
• b: 10.5128 ± 0.0007 Å
• c: 16.237 ± 0.0011 Å
• α: 83.162 ± 0.006°
• β: 89.612 ± 0.006°
• γ: 81.938 ± 0.006°
• Cell volume: 1272.01 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes