Information card for entry 2231669

Structure parameters

• Chemical name: 5-Methyl-2-pyridone
• Formula: C6 H7 N O
• Calculated formula: C6 H7 N O
• SMILES: [nH]1c(=O)ccc(c1)C
• Title of publication: 5-Methyl-2-pyridone
• Authors of publication: Mao, Shulin; Yanghui, Luo; Meiling, Pan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2440
• a: 12.965 ± 0.003 Å
• b: 9.7154 ± 0.0019 Å
• c: 10.908 ± 0.002 Å
• α: 90°
• β: 118.96 ± 0.03°
• γ: 90°
• Cell volume: 1202.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes