Information card for entry 1505528
| Common name |
2,3-dihydro-1H-[1,2,3]triazole-4-SF5 |
| Formula |
C2 H2 F5 N3 S |
| Calculated formula |
C2 H2 F5 N3 S |
| SMILES |
S(F)(F)(F)(F)(F)c1c[nH]nn1 |
| Title of publication |
Synthesis of pentafluorosulfanylpyrazole and pentafluorosulfanyl-1,2,3-triazole and their derivatives as energetic materials by click chemistry. |
| Authors of publication |
Ye, Chengfeng; Gard, Gary L.; Winter, Rolf W.; Syvret, Robert G.; Twamley, Brendan; Shreeve, Jean'ne M. |
| Journal of publication |
Organic letters |
| Year of publication |
2007 |
| Journal volume |
9 |
| Journal issue |
19 |
| Pages of publication |
3841 - 3844 |
| a |
10.5484 ± 0.0005 Å |
| b |
6.0792 ± 0.0003 Å |
| c |
10.0794 ± 0.0005 Å |
| α |
90° |
| β |
113.311 ± 0.001° |
| γ |
90° |
| Cell volume |
593.59 ± 0.05 Å3 |
| Cell temperature |
90 ± 2 K |
| Ambient diffraction temperature |
90 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0273 |
| Residual factor for significantly intense reflections |
0.0269 |
| Weighted residual factors for significantly intense reflections |
0.0742 |
| Weighted residual factors for all reflections included in the refinement |
0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.074 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1505528.html
