Information card for entry 2003637

Structure parameters

• Formula: C6 H8 Cl N O3
• Calculated formula: C6 H8 Cl N O3
• Title of publication: 2-Carboxypyridinium Chloride Monohydrate
• Authors of publication: Smith, G.; Byriel, K. A.; Kennard, C. H. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1425 - 1427
• a: 6.807 ± 0.001 Å
• b: 8.5813 ± 0.0009 Å
• c: 13.994 ± 0.004 Å
• α: 90°
• β: 98.2 ± 0.01°
• γ: 90°
• Cell volume: 809.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No