Information card for entry 2225512

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Methylphenyl)ethanone [8-(trifluoromethyl)quinolin-4-yl]hydrazone
• Formula: C19 H16 F3 N3
• Calculated formula: C19 H16 F3 N3
• SMILES: n1ccc(c2cccc(C(F)(F)F)c12)N/N=C(\C)c1ccc(cc1)C
• Title of publication: (<i>E</i>)-1-(4-Methylphenyl)ethanone [8-(trifluoromethyl)quinolin-4-yl]hydrazone
• Authors of publication: Dutkiewicz, Grzegorz; Mayekar, Anil N.; Yathirajan, H. S.; Narayana, B.; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o874
• a: 8.2811 ± 0.0009 Å
• b: 14.8443 ± 0.0015 Å
• c: 13.5325 ± 0.0015 Å
• α: 90°
• β: 90.601 ± 0.009°
• γ: 90°
• Cell volume: 1663.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0738
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes