Information card for entry 2228933

Structure parameters

• Common name: 4-amino-1,2,4-triazol-1-ium nitrate
• Chemical name: 4-Amino-1<i>H</i>-1,2,4-triazol-1-ium nitrate
• Formula: C2 H5 N5 O3
• Calculated formula: C2 H5 N5 O3
• SMILES: n1[nH]c[n+](c1)N.N(=O)(=O)[O-]
• Title of publication: 4-Amino-1<i>H</i>-1,2,4-triazol-1-ium nitrate
• Authors of publication: Matulková, Irena; Císařová, Ivana; Němec, Ivan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o18 - o19
• a: 9.62 ± 0.0009 Å
• b: 5.279 ± 0.0003 Å
• c: 11.895 ± 0.001 Å
• α: 90°
• β: 96.667 ± 0.003°
• γ: 90°
• Cell volume: 599.99 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes