Information card for entry 2311235
| Chemical name |
4-Phenyl-1,2,4-triazaspiro[4.6]undec-1-ene-3-thione |
| Formula |
C14 H17 N3 S |
| Calculated formula |
C14 H17 N3 S |
| SMILES |
S=C1N(C2(N=N1)CCCCCC2)c1ccccc1 |
| Title of publication |
4-Phenyl-1,2,4-tri-aza-spiro-[4.6]undec-1-ene-3-thione. |
| Authors of publication |
Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R. |
| Journal of publication |
Acta crystallographica. Section E, Structure reports online |
| Year of publication |
2014 |
| Journal volume |
70 |
| Journal issue |
Pt 6 |
| Pages of publication |
o640 |
| a |
9.0578 ± 0.0005 Å |
| b |
9.1324 ± 0.0005 Å |
| c |
9.4637 ± 0.0005 Å |
| α |
88.294 ± 0.0008° |
| β |
79.069 ± 0.0007° |
| γ |
61.664 ± 0.0006° |
| Cell volume |
674.89 ± 0.06 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0407 |
| Residual factor for significantly intense reflections |
0.0359 |
| Weighted residual factors for significantly intense reflections |
0.0913 |
| Weighted residual factors for all reflections included in the refinement |
0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.043 |
| 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/2311235.html
