Information card for entry 2231069

Structure parameters

• Chemical name: 3-Hydroxypyridinium-2-carboxylate
• Formula: C6 H5 N O3
• Calculated formula: C6 H5 N O3
• SMILES: O=C([O-])c1[nH+]cccc1O
• Title of publication: 3-Hydroxypyridinium-2-carboxylate
• Authors of publication: Betz, Richard; Gerber, Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2039
• a: 3.8034 ± 0.0001 Å
• b: 6.8144 ± 0.0002 Å
• c: 11.1807 ± 0.0004 Å
• α: 90°
• β: 95.102 ± 0.001°
• γ: 90°
• Cell volume: 288.632 ± 0.015 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes