Information card for entry 2223315

Structure parameters

• Chemical name: 4-(2<i>H</i>-Tetrazol-5-yl)pyridinium hydrogen sulfate
• Formula: C6 H7 N5 O4 S
• Calculated formula: C6 H7 N5 O4 S
• SMILES: S(=O)(=O)(O)[O-].c1(nn[nH]n1)c1cc[nH+]cc1
• Title of publication: 4-(2<i>H</i>-Tetrazol-5-yl)pyridinium hydrogen sulfate
• Authors of publication: Wang, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2398
• a: 6.6515 ± 0.0013 Å
• b: 7.5507 ± 0.0015 Å
• c: 10.072 ± 0.002 Å
• α: 77.72 ± 0.03°
• β: 76.88 ± 0.03°
• γ: 79.71 ± 0.03°
• Cell volume: 476.84 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes