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.
3-[4-(Methylsulfanyl)benzyl]-4-{(1E)-[4-(methylsulfanyl)phenyl]methyleneamino}-4,5-dihydro-1H-1,2,4-triazole-5-thione
✍ Scribed by Narayana, B. ;Jagadeesh Prasad, D. ;Sarojini, B. K. ;Yathirajan, H. S. ;Bolte, Michael
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 378 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
In the title molecule, C 15 H 12 ClN 3 S, the dihedral angles made by the substituted phenyl and benzyl rings with the triazole ring are 81.39 (10) and 63.59 (10) , respectively. The crystal structure is stabilized by NÐHÁ Á ÁS, CÐHÁ Á ÁCl and CÐHÁ Á Á% interactions.
The acyclic C=N double bond of the title compound, C~10~H~10~N~4~S, is __trans__ configured. The molecule is almost planar. The angle between the two rings is just 10.25 (7)°. The crystal packing is stabilized by N—H...S hydrogen bonds and π–π interactions.
Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.003 A Ê R factor = 0.039 wR factor = 0.096 Data-to-parameter ratio = 17.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.