Information card for entry 2209406

Structure parameters

• Common name: 4-(4-Fluorophenyl)-3-pyridin-4-ylquinolin-2(1H)-one
• Chemical name: 4-(4-Fluorophenyl)-3-(4-pyridyl)quinolin-2(1H)-one
• Formula: C20 H13 F N2 O
• Calculated formula: C20 H13 F N2 O
• SMILES: Fc1ccc(c2c3ccccc3[nH]c(=O)c2c2ccncc2)cc1
• Title of publication: 4-(4-Fluorophenyl)-3-(4-pyridyl)quinolin-2(1<i>H</i>)-one
• Authors of publication: Christian Peifer; Schollmeyer, Dieter; Roland Selig; Stefan Laufer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2648 - o2650
• a: 27.771 ± 0.002 Å
• b: 8.2247 ± 0.0004 Å
• c: 15.2643 ± 0.0012 Å
• α: 90°
• β: 117.466 ± 0.003°
• γ: 90°
• Cell volume: 3093.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes