Information card for entry 2219769

Structure parameters

• Chemical name: 2-Amino-5-(1<i>H</i>-tetrazol-5-yl)pyridinium chloride
• Formula: C6 H7 Cl N6
• Calculated formula: C6 H7 Cl N6
• SMILES: [nH+]1c(N)ccc(c2[nH]nnn2)c1.[Cl-]
• Title of publication: 2-Amino-5-(1<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: o2232
• a: 14.043 ± 0.003 Å
• b: 13.238 ± 0.003 Å
• c: 9.5766 ± 0.0019 Å
• α: 90°
• β: 109.35 ± 0.03°
• γ: 90°
• Cell volume: 1679.7 ± 0.7 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: 0.0615
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes