Information card for entry 7056848

Structure parameters

• Common name: AOD-HY
• Chemical name: AOD-Hydrazinium
• Formula: C2 H7 N5 O2
• Calculated formula: C2 H7 N5 O2
• SMILES: c1([O-])nc(no1)N.[NH3+]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: 13.3609 ± 0.0004 Å
• b: 10.8742 ± 0.0004 Å
• c: 3.7046 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 538.24 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.032
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No