Information card for entry 2238639

Structure parameters

• Chemical name: 4-Hydroxy-6-methylpyridin-2(1<i>H</i>)-one
• Formula: C6 H7 N O2
• Calculated formula: C6 H7 N O2
• SMILES: O=c1[nH]c(cc(O)c1)C
• Title of publication: 4-Hydroxy-6-methylpyridin-2(1<i>H</i>)-one
• Authors of publication: Reyes, Héctor; Aguirre, Gerardo; Chávez, Daniel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1534
• a: 4.7082 ± 0.0005 Å
• b: 12.2988 ± 0.0008 Å
• c: 10.0418 ± 0.0007 Å
• α: 90°
• β: 91.303 ± 0.007°
• γ: 90°
• Cell volume: 581.32 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No