Information card for entry 2213392

Structure parameters

• Chemical name: 4-(4-Flurophenyl)-6-(3-nitrophenyl)-3,4-dihydropyridin-2(1H)-one
• Formula: C17 H13 F N2 O3
• Calculated formula: C17 H13 F N2 O3
• SMILES: Fc1ccc(C2C=C(NC(=O)C2)c2cc(N(=O)=O)ccc2)cc1
• Title of publication: 4-(4-Fluorophenyl)-6-(3-nitrophenyl)-3,4-dihydropyridin-2(1<i>H</i>)-one
• Authors of publication: Xiao-Tong Zhu; Shu-Jiang Tu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2108 - o2110
• a: 13.96 ± 0.003 Å
• b: 8.5633 ± 0.0018 Å
• c: 12.523 ± 0.003 Å
• α: 90°
• β: 103.789 ± 0.004°
• γ: 90°
• Cell volume: 1453.9 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.12
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes