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.
4-Allyl-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione
✍ Scribed by Köysal, Yavuz ;Işık, Şamil ;Salgın, Umut ;Gökhan, Nesrin
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 966 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
In the title compound, C 11 H 9 N 5 OS, the molecules are linked into chains along the c axis via N-HÁ Á ÁN hydrogen bonds. The packing is further stabilized by C-HÁ Á Á andinteractions.
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.
View of (I) showing 50% probability displacement ellipsoids and the atom-numbering scheme.
The molecule of the title compound, C 9 H 9 N 5 S, has a nonplanar conformation. In the crystal structure, molecules are connected by N-HÁ Á ÁN hydrogen bonds along the b axis. Weak C-HÁ Á ÁS interactions complete the crystal packing.