Information card for entry 2211163

Structure parameters

• Common name: 1-(4-(2-Oxopyridin-1(2H)-yl)phenyl)pyridin-2(1H)-one
• Chemical name: 1-{4-[2-Oxopyridin-1(2H)-yl]phenyl}pyridin-2(1H)-one
• Formula: C16 H12 N2 O2
• Calculated formula: C16 H12 N2 O2
• SMILES: O=c1ccccn1c1ccc(cc1)n1ccccc1=O
• Title of publication: 1-[4-(2-Oxo-1,2-dihydropyridin-1-yl)phenyl]pyridin-2(1<i>H</i>)-one
• Authors of publication: Li, Chenguang; Robinson, Paul D.; Dyer, Daniel J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5045 - o5047
• a: 5.8911 ± 0.0012 Å
• b: 6.7028 ± 0.0013 Å
• c: 8.8707 ± 0.0018 Å
• α: 76.5 ± 0.03°
• β: 71.33 ± 0.03°
• γ: 67.44 ± 0.03°
• Cell volume: 303.99 ± 0.13 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.055
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes