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.
✦ LIBER ✦
2-Amino-4-[1-(2-chlorophenyl)-5-methyl-1 H -1,2,3-triazol-4-yl]-6-(4-methylphenyl)benzene-1,3-dicarbonitrile
✍ Scribed by Dong, Wang-Jun; Wang, Hui-Cheng; Gao, Zhong-Liang; Li, Rong-Shan; Dong, Heng-Shan
- Book ID
- 125507303
- Publisher
- International Union of Crystallography
- Year
- 2009
- Tongue
- English
- Weight
- 625 KB
- Volume
- 65
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
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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.
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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.