Experimental and theoretical structural studies on 4-(2-phenylethyl)-5-(2-furyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
✍ Scribed by Arzu Karayel; Süheyla Özbey
- Publisher
- Springer
- Year
- 2008
- Tongue
- English
- Weight
- 349 KB
- Volume
- 19
- Category
- Article
- ISSN
- 1040-0400
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Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.002 A Ê R factor = 0.036 wR factor = 0.084 Data-to-parameter ratio = 15.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 18 H 15 OPÁC 10 H 12 N 4 OS, the triazole ring makes a dihedral angle of 51.24 (7) with the attached benzene ring. The triazole ring and its thione substituent are delocalized. There are intermolecular N-HÁ Á ÁO and N-HÁ Á ÁS hydrogen bonds, which also involve the cocrystall
## Abstract magnified image Various 4‐amino‐2,3‐dihydro‐4__H__‐triazoles with aromatic, aliphatic and heterocyclic substituents at the C(5) position were synthesized from corresponding esters and thiocarbohydrazide. This method allows the synthesis these heterocycles in a short time and at reduced