Abstract
In the molecule of the title compound, C11H15N5OS2, the thiadiazole and triazole rings are not coplanar, the dihedral angle formed by their mean planes being 59.9 (2)°. The exocyclic S atom, and the methylene, carbonyl, tert-butyl and one methyl carbon form an approximately planar zigzag chain, which makes a dihedral angle of 74.6 (1)° with the thiadiazole ring.
Highlights
In the molecule of the title compound, C11H15N5OS2, the thiadiazole and triazole rings are not coplanar, the dihedral angle formed by their mean planes being 59.9 (2)
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: YA2060)
R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.005 A; R factor = 0.051; wR factor = 0.144; data-to-parameter ratio = 14.7. In the molecule of the title compound, C11H15N5OS2, the thiadiazole and triazole rings are not coplanar, the dihedral angle formed by their mean planes being 59.9 (2). The exocyclic S atom, and the methylene, carbonyl, tert-butyl and one methyl carbon form an approximately planar zigzag chain, which makes a dihedral angle of 74.6 (1) with the thiadiazole ring. Related literature For the structure of the related compound, 1-(2,4-dichlorophenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2ylsulfanyl] ethanone, see: Wei et al (2007). For the synthesis of the starting material 5-(1H-1,2,4-triazol-1-yl)methyl)-1,3,4thiadiazole-2(3H)-thione, see: Hu et al (2006), Xu et al (2005, 2006)
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