Information card for entry 2008999

Structure parameters

• Chemical name: 2-Chloro-6-hydroxypyridinium Chloride Hydrate
• Formula: C5 H7 Cl2 N O2
• Calculated formula: C5 H7 Cl2 N O2
• SMILES: Clc1[nH+]c(O)ccc1.[Cl-].O
• Title of publication: 2-Chloro-6-hydroxypyridinium chloride hydrate
• Authors of publication: Freytag, Matthias; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1682 - 1685
• a: 7.3471 ± 0.001 Å
• b: 7.933 ± 0.0012 Å
• c: 13.663 ± 0.0016 Å
• α: 90°
• β: 104.662 ± 0.008°
• γ: 90°
• Cell volume: 770.41 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes