Information card for entry 2222080

Structure parameters

• Chemical name: 3-(1<i>H</i>-Tetrazol-5-yl)pyridinium chloride
• Formula: C6 H6 Cl N5
• Calculated formula: C6 H6 Cl N5
• SMILES: [Cl-].[nH+]1cc(ccc1)c1[nH]nnn1
• Title of publication: 3-(1<i>H</i>-Tetrazol-5-yl)pyridinium chloride
• Authors of publication: Dai, Jing; Yu, Miao-Jia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1391
• a: 4.2741 ± 0.0009 Å
• b: 8.1992 ± 0.0016 Å
• c: 23.559 ± 0.005 Å
• α: 90°
• β: 94.72 ± 0.03°
• γ: 90°
• Cell volume: 822.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes