Information card for entry 2228619

Structure parameters

• Chemical name: 4-(1<i>H</i>-Tetrazol-5-yl)pyridinium chloride
• Formula: C6 H6 Cl N5
• Calculated formula: C6 H6 Cl N5
• SMILES: n1n[nH]c(n1)c1cc[nH+]cc1.[Cl-]
• Title of publication: 4-(1<i>H</i>-Tetrazol-5-yl)pyridinium chloride
• Authors of publication: Zhang, Yan-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3297
• a: 4.8552 ± 0.001 Å
• b: 7.5862 ± 0.0015 Å
• c: 10.884 ± 0.002 Å
• α: 90°
• β: 92.88 ± 0.03°
• γ: 90°
• Cell volume: 400.38 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes