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.
4-Amino-5-(2-ethoxyphenyl)-2,4-dihydro-2H-1,2,4-triazole-3-thione–triphenylphosphine oxide (1/1)
✍ Scribed by Chen, Xi-An ;Huang, Xiao-Bo ;Wu, Hua-Yue
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 717 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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 cocrystallized triphenylphosphine oxide molecule.
📜 SIMILAR VOLUMES
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.
## 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
View of (I) showing 50% probability displacement ellipsoids and the atom-numbering scheme.