Information card for entry 2219944

Structure parameters

• Chemical name: 2-(2<i>H</i>-Tetrazol-5-yl)pyridinium chloride
• Formula: C6 H6 Cl N5
• Calculated formula: C3 H3 Cl0.5 N2.5
• SMILES: c1c(c2nnn[nH]2)[nH+]ccc1.[Cl-]
• Title of publication: 2-(2<i>H</i>-Tetrazol-5-yl)pyridinium chloride
• Authors of publication: Dai, Jing; Wen, Xiao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2113
• a: 16.375 ± 0.003 Å
• b: 15.313 ± 0.003 Å
• c: 6.5176 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1634.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes