Information card for entry 4324443

Structure parameters

• Common name: 2-methyl-5-nitraminotetrazole urea
• Chemical name: 2-methyl-5-nitraminotetrazole urea
• Formula: C3 H8 N8 O3
• Calculated formula: C3 H8 N8 O3
• SMILES: O=N(=O)Nc1nn(nn1)C.O=C(N)N
• Title of publication: N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities
• Authors of publication: Tobias Fendt; Niko Fischer; Thomas M. Klapötke; Jörg Stierstorfer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1447 - 1458
• a: 7.5867 ± 0.0005 Å
• b: 7.3684 ± 0.0007 Å
• c: 15.3282 ± 0.0009 Å
• α: 90°
• β: 95.764 ± 0.006°
• γ: 90°
• Cell volume: 852.54 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No