Information card for entry 2022925

Structure parameters

• Chemical name: 4-(Naphthalen-2-yl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
• Formula: C22 H14 N2 O
• Calculated formula: C22 H14 N2 O
• Title of publication: Crystal structure of 4-(naphthalen-2-yl)-2-oxo-6-phenyl-1,2-di-hydro-pyridine-3-carbo-nitrile.
• Authors of publication: Bui, Thai Thanh Thu; Mac, Dinh Hung; Quang Trung, Pham; Pham, Chien Thang
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 11
• Pages of publication: 1076 - 1078
• a: 7.0845 ± 0.0004 Å
• b: 10.4369 ± 0.0006 Å
• c: 21.6298 ± 0.0011 Å
• α: 90°
• β: 91.878 ± 0.002°
• γ: 90°
• Cell volume: 1598.45 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes