Information card for entry 2018199

Structure parameters

• Chemical name: 5-hydroxy-6-methyl-2-pyridone
• Formula: C6 H7 N O2
• Calculated formula: C6 H7 N O2
• SMILES: [nH]1c(=O)ccc(c1C)O
• Title of publication: Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone
• Authors of publication: Parkin, Sean R.; Behrman, Edward J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o324 - o328
• a: 25.2734 ± 0.0007 Å
• b: 25.2734 ± 0.0007 Å
• c: 5.2602 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2909.8 ± 0.4 ų
• Cell temperature: 293 ± 0.2 K
• Ambient diffraction temperature: 293 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes