Information card for entry 2015275

Structure parameters

• Chemical name: 2,2'-bipyridinium hydrogensulfate
• Formula: C10 H10 N2 O4 S
• Calculated formula: C10 H10 N2 O4 S
• SMILES: [nH+]1c(cccc1)c1ncccc1.S(=O)(=O)(O)[O-]
• Title of publication: Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate
• Authors of publication: Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o165 - o169
• a: 12.8274 ± 0.0004 Å
• b: 4.4774 ± 0.0002 Å
• c: 18.2844 ± 0.0005 Å
• α: 90°
• β: 100.568 ± 0.002°
• γ: 90°
• Cell volume: 1032.32 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0524
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes