Information card for entry 2213774

Structure parameters

• Common name: 6-oxo-1,6-dihydropyridine-3-carboxylic acid
• Chemical name: 6-Oxo-1,6-dihydropyridine-3-carboxylic acid
• Formula: C6 H5 N O3
• Calculated formula: C6 H5 N O3
• SMILES: O=C(O)c1c[nH]c(=O)cc1
• Title of publication: 6-Oxo-1,6-dihydropyridine-3-carboxylic acid
• Authors of publication: Gupta, Salin; Long, Sihui; Li, Tonglei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2784 - o2784
• a: 6.813 ± 0.0001 Å
• b: 11.134 ± 0.0003 Å
• c: 16.278 ± 0.0004 Å
• α: 82.557 ± 0.0009°
• β: 78.106 ± 0.001°
• γ: 76.251 ± 0.001°
• Cell volume: 1169.43 ± 0.05 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1007
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes