Information card for entry 2014855

Structure parameters

• Common name: 6-Methyl-2-pyridone
• Chemical name: 6-Methyl-2-pyridone
• Formula: C6 H7 N O
• Calculated formula: C6 H7 N O
• SMILES: O=c1[nH]c(ccc1)C
• Title of publication: 6-Methyl-2-pyridone: an elusive structure finally solved
• Authors of publication: Nichol, Gary S.; Clegg, William
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o383 - o385
• a: 7.5229 ± 0.0017 Å
• b: 13.083 ± 0.003 Å
• c: 22.149 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2180 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.6768 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes