Information card for entry 7160074

Structure parameters

• Chemical name: 3-(4-fluorophenyl)quinolin-2(1H)-one
• Formula: C15 H10 F N O
• Calculated formula: C15 H10 F N O
• Title of publication: Iron-catalyzed synthesis of substituted 3-arylquinolin-2(1<i>H</i>)-ones <i>via</i> an intramolecular dehydrogenative coupling of amido-alcohols.
• Authors of publication: Bettoni, Léo; Joly, Nicolas; Mendas, Inès; Moscogiuri, Matteo Maria; Lohier, Jean-François; Gaillard, Sylvain; Poater, Albert; Renaud, Jean-Luc
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 34
• Pages of publication: 6933 - 6940
• a: 17.5169 ± 0.0008 Å
• b: 5.7876 ± 0.0003 Å
• c: 22.1074 ± 0.0011 Å
• α: 90°
• β: 102.879 ± 0.002°
• γ: 90°
• Cell volume: 2184.88 ± 0.19 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No