Information card for entry 7056845

Structure parameters

• Common name: 3-amino-1,2,4-oxadiazol-5-one
• Chemical name: amino oxadiazolone
• Formula: C2 H3 N3 O2
• Calculated formula: C2 H3 N3 O2
• SMILES: C1(=O)ON=C(N1)N
• Title of publication: 3-Amino-1,2,4(4H)-oxadiazol-5-one (AOD) and its nitrogen-rich salts: a class of insensitive energetic materials
• Authors of publication: Kumar, A. Sudheer; Sasidharan, Nimesh; Ganguly, Rakesh; Leow, Dasheng; Hng, Huey Hoon
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 1840
• a: 9.386 ± 0.0016 Å
• b: 3.5384 ± 0.0006 Å
• c: 12.154 ± 0.002 Å
• α: 90°
• β: 109.139 ± 0.006°
• γ: 90°
• Cell volume: 381.34 ± 0.11 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No