Information card for entry 2209113

Structure parameters

• Common name: 3-(4-fluorophenyl)-4-(4-pyridyl)quinolin-2(1H)-one
• Chemical name: 3-(4-Fluorophenyl)-4-(4-pyridyl)quinolin-2(1H)-one
• Formula: C20 H13 F N2 O
• Calculated formula: C20 H13 F N2 O
• SMILES: c1(c(=O)[nH]c2ccccc2c1c1ccncc1)c1ccc(cc1)F
• Title of publication: 3-(4-Fluorophenyl)-4-(4-pyridyl)quinolin-2(1<i>H</i>)-one
• Authors of publication: Christian Peifer; Schollmeyer, Dieter; Stefanie Laudage; Stefan Laufer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2475 - o2477
• a: 9.434 ± 0.005 Å
• b: 9.9087 ± 0.0016 Å
• c: 16.789 ± 0.009 Å
• α: 90°
• β: 97.32 ± 0.03°
• γ: 90°
• Cell volume: 1556.6 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes