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.
4-Amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5(4H)-thione
✍ Scribed by Zhang, Shu-Sheng ;Meng, Xiang-Tao ;Li, Xue-Mei ;Wang, Wei
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 291 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
View of (I) showing 50% probability displacement ellipsoids and the atom-numbering scheme.
📜 SIMILAR VOLUMES
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.
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.002 A Ê R factor = 0.025 wR factor = 0.067 Data-to-parameter ratio = 13.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
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.