3-（金刚烷-1-基）-4-[(E)-(2,6-二氟亚苄基)氨基]-1-[(4-乙基哌嗪-1-基)甲基]-4,5-二氢-1H-1,2,4-三唑-5-硫酮
3-(Adamantan-1-yl)-4-[(E)-(2,6-di-fluoro-benzyl-idene)amino]-1-[(4-ethyl-piperazin-1-yl)meth-yl]-4,5-di-hydro-1H-1,2,4-triazole-5-thione.
作者信息
Al-Tamimi Abdul-Malek S, Al-Abdullah Ebtehal S, El-Emam Ali A, Ng Seik Weng, Tiekink Edward R T
机构信息
Department of Pharmaceutical Chemistry, College of Pharmacy, Salman bin Abdulaziz University, Alkharj 11942, Saudi Arabia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 10;69(Pt 5):o685-6. doi: 10.1107/S1600536813009264. Print 2013 May 1.
In the title compound, C26H34F2N6S, the triazole ring is linked to a benzene ring via an imine bond [N=C = 1.255 (2) Å; conformation: E], with a dihedral angle of 25.21 (11)° between the rings. The 4-ethyl-piperazinyl residue is folded away from the thione-S atom. In the crystal, helical supra-molecular chains propagating along [010] and sustained by weak C-S⋯π(triazole) inter-actions occur [S⋯centroid distance = 3.2872 (10) Å]. Links between these chains are of the type benzene-C-H⋯N(imine) and π-π [between centrosymmetrically related benzene rings with an inter-centroid distance of 3.9241 (15) Å] and result in a three-dimensional architecture.
在标题化合物C₂₆H₃₄F₂N₆S中，三唑环通过亚胺键与苯环相连[N = C = 1.255(2) Å；构象：E]，环之间的二面角为25.21(11)°。4-乙基-哌嗪基残基远离硫酮-S原子折叠。在晶体中，沿着[010]方向传播并由弱C-S⋯π(三唑)相互作用维持的螺旋超分子链出现[S⋯质心距离 = 3.2872(10) Å]。这些链之间的连接类型为苯-C-H⋯N(亚胺)和π-π[在中心对称相关的苯环之间，质心间距为3.9241(15) Å]，并形成三维结构。
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