4-Amino-3-(1,2,4-triazol-1-yl)-1H-1,2,4-triazole-5(4H)-thione
✍ Scribed by Xu, Liang-Zhong ;Yu, Guan-Ping ;Xu, Feng-Ling ;Li, Wei-Hua
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 230 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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.
📜 SIMILAR VOLUMES
In the title compound, C 8 H 8 N 4 OS, the planar triazole ring is effectively coplanar with the benzene ring, which facilitates the formation of three intramolecular interactions N-HÁ Á ÁS (leading to a thione tautomer in the solid state), O-HÁ Á ÁN and C-HÁ Á ÁN. Intermolecular N-HÁ Á ÁS interacti
## Abstract Five 5‐substituted‐4‐(arylidene)amino‐2,4‐dihydro‐3__H__‐1, 2,4‐triazole‐3‐thiones (2a–2e) and seven 6‐aryl‐3‐(D‐gluco‐pentitol‐1‐yl)‐7__H__‐1,2,4‐triazolo[3,4‐b][1,3,4]thiadiazines (3a–3g) were synthesized. The complete ^1^H and ^13^C NMR chemical shift assignments were analyzed on one
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 title compound, C 12 H 11 N 7 OS, the dihedral angles made by the thione-substituted triazole ring with the other triazole ring and the benzene ring are 71.56 (2) and 47.89 (3) , respectively. Inter-and intramolcular hydrogen-bond interactions stabilize the structure.