Information card for entry 2219695

Structure parameters

• Chemical name: 2-Amino-5-(1<i>H</i>-tetrazol-5-yl)pyridin-1-ium nitrate
• Formula: C6 H7 N7 O3
• Calculated formula: C6 H7 N7 O3
• SMILES: O=N(=O)[O-].[nH]1c(c2ccc([nH+]c2)N)nnn1
• Title of publication: 2-Amino-5-(1<i>H</i>-tetrazol-5-yl)pyridin-1-ium nitrate
• Authors of publication: Dai, Jing; Wen, Xiao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2028
• a: 8.3797 ± 0.0017 Å
• b: 6.9314 ± 0.0014 Å
• c: 15.881 ± 0.003 Å
• α: 90°
• β: 94.31 ± 0.03°
• γ: 90°
• Cell volume: 919.8 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes