Information card for entry 2224288

Structure parameters

• Chemical name: 2-pyridone
• Formula: C5 H5 N O
• Calculated formula: C5 H5 N O
• SMILES: O=c1[nH]cccc1
• Title of publication: 2-Pyridone: monoclinic polymorph
• Authors of publication: Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3187
• a: 6.2027 ± 0.0013 Å
• b: 16.327 ± 0.004 Å
• c: 9.1046 ± 0.0018 Å
• α: 90°
• β: 92.242 ± 0.007°
• γ: 90°
• Cell volume: 921.3 ± 0.3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes