Information card for entry 2224519

Structure parameters

• Chemical name: 4-Hydroxypyridinium hydrogen sulfate
• Formula: C5 H7 N O5 S
• Calculated formula: C5 H7 N O5 S
• SMILES: S(=O)(=O)(O)[O-].Oc1cc[nH+]cc1
• Title of publication: 4-Hydroxypyridinium hydrogen sulfate
• Authors of publication: Huo, Li-Hua; Xu, Ying-Ming; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3148
• a: 10.4541 ± 0.0007 Å
• b: 10.7017 ± 0.0006 Å
• c: 6.8397 ± 0.0004 Å
• α: 90°
• β: 96.503 ± 0.002°
• γ: 90°
• Cell volume: 760.28 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes