Information card for entry 2221914

Structure parameters

• Chemical name: 4-(4-Methoxyphenyl)-1-phenylpyridine-2,6(1<i>H</i>,3<i>H</i>)-dione
• Formula: C18 H15 N O3
• Calculated formula: C18 H15 N O3
• SMILES: O=C1N(c2ccccc2)C(=O)CC(=C1)c1ccc(OC)cc1
• Title of publication: 4-(4-Methoxyphenyl)-1-phenylpyridine-2,6(1<i>H</i>,3<i>H</i>)-dione
• Authors of publication: Das, Ushati; Chheda, Shardul B.; Pednekar, Suhas R.; Karambelkar, Narendra P.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1319
• a: 7.4652 ± 0.0005 Å
• b: 9.0885 ± 0.0007 Å
• c: 11.1181 ± 0.0008 Å
• α: 77.384 ± 0.001°
• β: 88.747 ± 0.002°
• γ: 77.493 ± 0.001°
• Cell volume: 718.4 ± 0.09 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes