Information card for entry 2015573

Structure parameters

• Chemical name: 4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine- 3-carbonitrile
• Formula: C24 H14 F2 N2 O2
• Calculated formula: C24 H14 F2 N2 O2
• SMILES: Fc1c(Oc2ccccc2)cc(cc1)c1cc([nH]c(=O)c1C#N)c1ccc(F)cc1
• Title of publication: 4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile and the 6-(4-methylphenyl)- analogue
• Authors of publication: Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; T. N. Guru Row
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o540 - o543
• a: 7.572 ± 0.004 Å
• b: 9.337 ± 0.005 Å
• c: 14.027 ± 0.008 Å
• α: 80.546 ± 0.01°
• β: 86.71 ± 0.012°
• γ: 81.598 ± 0.01°
• Cell volume: 967.2 ± 0.9 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.196
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes