Information card for entry 2200033

Structure parameters

• Common name: 3-carboxypyridinium chloride
• Chemical name: 3-carboxypyridinium chloride
• Formula: C6 H6 Cl N O2
• Calculated formula: C6 H6 Cl N O2
• SMILES: [Cl-].OC(=O)c1c[nH+]ccc1
• Title of publication: 3-Carboxypyridinium chloride
• Authors of publication: Slouf, Miroslav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o61 - o62
• a: 7.1704 ± 0.0003 Å
• b: 6.6685 ± 0.0006 Å
• c: 7.4937 ± 0.0006 Å
• α: 90°
• β: 99.555 ± 0.005°
• γ: 90°
• Cell volume: 353.35 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes