Information card for entry 7235709

Structure parameters

• Chemical name: 4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
• Formula: C14 H11 Cl N2 O
• Calculated formula: C14 H11 Cl N2 O
• Title of publication: Cascade synthesis of 2-pyridones using acrylamides and ketones
• Authors of publication: Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 83
• Pages of publication: 44141
• a: 9.3937 ± 0.001 Å
• b: 17.428 ± 0.002 Å
• c: 18.0482 ± 0.0018 Å
• α: 61.217 ± 0.012°
• β: 78.071 ± 0.009°
• γ: 87.092 ± 0.009°
• Cell volume: 2529.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1847
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2144
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No