Information card for entry 2008439

Structure parameters

• Common name: 4-NRTZ
• Chemical name: 4-nitramino-1,2,4-triazole
• Formula: C2 H3 N5 O2
• Calculated formula: C2 H3 N5 O2
• SMILES: n1[nH]c[n](c1)=NN(=O)=O
• Title of publication: 4-Nitramino-1,2,4-triazole
• Authors of publication: Vasiliev, Alexander D.; Astachov, Alexander M.; Stepanov, Rudolf S.; Kirik, Sergei D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 830 - 832
• a: 9.2989 ± 0.0007 Å
• b: 14.057 ± 0.001 Å
• c: 3.6066 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 471.44 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No