Information card for entry 2228930

Structure parameters

• Chemical name: 2-[(<i>E</i>)-2-Hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol
• Formula: C15 H12 F3 N O3
• Calculated formula: C15 H12 F3 N O3
• SMILES: FC(OC1=C/C(=C/Nc2cc(C)ccc2O)/C(=O)C=C1)(F)F
• Title of publication: 2-[(<i>E</i>)-2-Hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol
• Authors of publication: Karadağ, Aslı Tosyalı; Atalay, Şehriman; Genç, Hasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o95
• a: 6.473 ± 0.0005 Å
• b: 8.4435 ± 0.0006 Å
• c: 13.0369 ± 0.0009 Å
• α: 82.171 ± 0.006°
• β: 88.034 ± 0.006°
• γ: 85.622 ± 0.006°
• Cell volume: 703.62 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1311
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes