Information card for entry 7019821
| Common name |
1-amino-3,5-dinitro-1,2,4-triazole |
| Chemical name |
1-amino-3,5-dinitro-1,2,4-triazole |
| Formula |
C2 H2 N6 O4 |
| Calculated formula |
C2 H2 N6 O4 |
| SMILES |
O=N(=O)c1nc(nn1N)N(=O)=O |
| Title of publication |
Amination of energetic anions: high-performing energetic materials. |
| Authors of publication |
Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2012 |
| Journal volume |
41 |
| Journal issue |
31 |
| Pages of publication |
9451 - 9459 |
| a |
8.3125 ± 0.0007 Å |
| b |
11.4102 ± 0.0008 Å |
| c |
13.5629 ± 0.0016 Å |
| α |
78.074 ± 0.008° |
| β |
77.335 ± 0.008° |
| γ |
89.873 ± 0.006° |
| Cell volume |
1226.8 ± 0.2 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 K |
| Number of distinct elements |
4 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.0442 |
| Residual factor for significantly intense reflections |
0.0344 |
| Weighted residual factors for significantly intense reflections |
0.0709 |
| Weighted residual factors for all reflections included in the refinement |
0.0769 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.02 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7019821.html
