5-Benzyl-4-phenyl-2,4-dihydro-1,2,4-triazole-3-thione
✍ Scribed by Akkurt, Mehmet ;Öztürk, Sema ;Servi, Süleyman ;Cansız, Ahmet ;Şekerci, Memet ;Kazak, Canan
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 190 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
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.
📜 SIMILAR VOLUMES
The title molecule, C 14 H 11 N 3 OS, is non-planar. The phenyl and hydroxyphenyl rings form dihedral angles of 69.08 (9) and 24.57 (9) , respectively, with the ®ve-membered 2,4-dihydro-1,2,4-triazole ring. The molecules form centrosymmetric dimers through NÐHÁ Á ÁS hydrogen bonds, with an NÁ Á ÁS d
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 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.