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Information card for entry 7056848
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| Coordinates | 7056848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7056848.cif |
| 230573 | 2019-11-17 | cif/ Updating files of 7056845, 7056846, 7056847, 7056848 Original log message: Adding full bibliography for 7056845--7056848.cif. |
7056848.cif |
| 204562 | 2017-12-28 | cif/ Adding structures of 7056845, 7056846, 7056847, 7056848 via cif-deposit CGI script. |
7056848.cif |
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Users of the data should acknowledge the original authors of the
structural data.