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-Benzyl-4-(4-methylphenyl)-1H-1,2,4-triazole-5(4H)-thione
✍ Scribed by Yıldırım, Sema Öztürk ;Akkurt, Mehmet ;Koparır, Metin ;Cansız, Ahmet ;Şekerci, Memet ;Heinemann, Frank W.
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 251 KB
- Volume
- 60
- 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.
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.
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.