Information card for entry 2203986

Structure parameters

• Common name: 6-methyl-2-pyridone
• Chemical name: 6-methyl-2-pyridone pentahydrate
• Formula: C6 H17 N O6
• Calculated formula: C6 H17 N O6
• SMILES: O=c1[nH]c(ccc1)C.O.O.O.O.O
• Title of publication: 6-Methyl-2-pyridone pentahydrate
• Authors of publication: Clegg, William; Nichol, Gary S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1433 - o1436
• a: 7.5134 ± 0.0019 Å
• b: 11.261 ± 0.003 Å
• c: 13.859 ± 0.004 Å
• α: 99.674 ± 0.004°
• β: 90.793 ± 0.005°
• γ: 105.622 ± 0.004°
• Cell volume: 1111.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0735
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes