Information card for entry 2022667

Structure parameters

• Common name: (<i>E</i>)-4-(4-Fluorostyryl)-2-methylquinoline
• Chemical name: (<i>E</i>)-4-[2-(4-Fluorophenyl)ethenyl]-2-methylquinoline
• Formula: C18 H14 F N
• Calculated formula: C18 H14 F N
• SMILES: n1c(cc(c2ccccc12)/C=C/c1ccc(F)cc1)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: 13.5921 ± 0.0007 Å
• b: 12.7103 ± 0.0006 Å
• c: 7.6215 ± 0.0003 Å
• α: 90°
• β: 103.133 ± 0.002°
• γ: 90°
• Cell volume: 1282.25 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes