3-(1,5-Dimethylpyrazol-4-yl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione
✍ Scribed by Wen, Li-Rong ;Ke, Zi-Qin ;Li, Ming ;Guo, Wei-Si
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 158 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
The title compound, C 13 H 13 N 5 S, possesses crystallographically imposed mirror symmetry. In the crystal structure, the molecules interact through strong intermolecular N-HÁ Á ÁN hydrogen bonds to form ribbons running parallel to the a axis.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.003 A Ê R factor = 0.034 wR factor = 0.084 Data-to-parameter ratio = 12.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 15 H 13 N 3 S, was prepared by the reaction of 1-(2-chloroethyl)benzene with hydrazine and phenyl isothiocyanate. Packing is stabilized by N-HÁ Á ÁS intermolecular hydrogen bonds and C-HÁ Á Á interactions.
In the molecule of the title compound, C 5 H 7 N 7 S, the essentially planar triazole ring and the 4-amino-5-mercapto-1,2,4-triazole moiety make a dihedral angle of 70.97 (5) . In the crystal structure, weak intermolecular N-HÁ Á ÁN and N-HÁ Á ÁS hydrogen bonds stabilize the packing.
In the crystal structure of the title compound, C~16~H~15~N~3~OS, intermolecular N—H...S hydrogen bonds link the molecules together as characteristic dimers, which are further stabilized by weak intermolecular benzene-ring π–π interactions along the __a__-axis direction.