Information card for entry 7019820

Structure parameters

• Common name: 2-amino-5-nitrotetrazole
• Chemical name: 2-amino-5-nitrotetrazole
• Formula: C H2 N6 O2
• Calculated formula: C H2 N6 O2
• SMILES: O=N(=O)c1nn(N)nn1
• Title of publication: Amination of energetic anions: high-performing energetic materials.
• Authors of publication: Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 31
• Pages of publication: 9451 - 9459
• a: 9.855 ± 0.006 Å
• b: 8.082 ± 0.004 Å
• c: 6.059 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 482.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No