Information card for entry 2022668

Structure parameters

• Common name: (<i>E</i>)-2-Methyl-4-[4-(trifluoromethyl)styryl]quinoline
• Chemical name: (<i>E</i>)-2-Methyl-4-{2-[4-(trifluoromethyl)phenyl]ethenyl}quinoline
• Formula: C19 H14 F3 N
• Calculated formula: C19 H14 F3 N
• SMILES: n1c(cc(c2ccccc12)/C=C/c1ccc(cc1)C(F)(F)F)C
• Title of publication: Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone
• Authors of publication: Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 10
• a: 17.2696 ± 0.001 Å
• b: 10.8096 ± 0.0007 Å
• c: 16.1495 ± 0.0008 Å
• α: 90°
• β: 91.44 ± 0.002°
• γ: 90°
• Cell volume: 3013.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes