Information card for entry 2209658

Structure parameters

• Chemical name: 6-(4-Chlorophenyl)-4-(4-fluoro-3-phenoxyphenyl)-2-oxo- 1,2,3,4-tetrahydropyridine-3-carbonitrile
• Formula: C24 H16 Cl F N2 O2
• Calculated formula: C24 H16 Cl F N2 O2
• SMILES: Clc1ccc(C2=C[C@@H](c3cc(Oc4ccccc4)c(F)cc3)[C@@H](C(=O)N2)C#N)cc1.Clc1ccc(C2=C[C@H](c3cc(Oc4ccccc4)c(F)cc3)[C@H](C(=O)N2)C#N)cc1
• Title of publication: 6-(4-Chlorophenyl)-4-(4-fluoro-3-phenoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carbonitrile
• Authors of publication: Chopra, Deepak; Mohan, T.P.; Vishalakshi, B
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2660 - o2662
• a: 11.316 ± 0.006 Å
• b: 11.899 ± 0.007 Å
• c: 15.109 ± 0.008 Å
• α: 90°
• β: 109.088 ± 0.009°
• γ: 90°
• Cell volume: 1922.6 ± 1.8 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes