Information card for entry 2015574

Structure parameters

• Chemical name: 4-(4-Fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1,2-dihydropyridine- 3-carbonitrile
• Formula: C25 H17 F N2 O2
• Calculated formula: C25 H17 F N2 O2
• SMILES: Fc1c(Oc2ccccc2)cc(cc1)c1cc([nH]c(=O)c1C#N)c1ccc(cc1)C
• 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: 7.828 ± 0.005 Å
• b: 9.523 ± 0.007 Å
• c: 13.952 ± 0.01 Å
• α: 76.46 ± 0.013°
• β: 87.25 ± 0.014°
• γ: 83.705 ± 0.015°
• Cell volume: 1004.8 ± 1.2 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: 0.1912
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes