3-[(4-苯基-哌嗪-1-基)甲基]-5-(噻吩-2-基)-2,3-二氢-1,3,4-恶二唑-2-硫酮
3-[(4-Phenyl-piperazin-1-yl)meth-yl]-5-(thio-phen-2-yl)-2,3-di-hydro-1,3,4-oxa-diazole-2-thione.
作者信息
El-Emam Ali A, Al-Omar Mohamed A, Al-Obaid Abdul-Rahman M, Ng Seik Weng, Tiekink Edward R T
机构信息
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 10;69(Pt 5):o684. doi: 10.1107/S1600536813009252. Print 2013 May 1.
Abstract
In the title compound, C17H18N4OS2, the 2-thienyl ring is disordered over two co-planar, opposite orientations in a 0.684 (2): 0.316 ratio. The 1,3,4-oxa-diazole ring is almost co-planar with the attached 2-thienyl ring [dihedral angles of 5.34 (19) and 4.8 (5)° for the major and minor components, respectively]. The relative disposition of the thione- and ring-S atoms is anti for the major orientation of the 2-thienyl residue. Overall, the shape of the mol-ecule approximates the letter V. In the crystal, a three-dimensional architecture is consolidated by a combination of weak C-H⋯S and C-H⋯π contacts.
摘要
在标题化合物C₁₇H₁₈N₄OS₂中，2-噻吩基环以0.684 (2): 0.316的比例无序地分布在两个共面且相反的取向上。1,3,4-恶二唑环与相连的2-噻吩基环几乎共面[主、次组分的二面角分别为5.34 (19)°和4.8 (5)°]。对于2-噻吩基残基的主要取向，硫酮基和环硫原子的相对排布为反式。总体而言，分子形状近似字母V。在晶体中，通过弱C-H⋯S和C-H⋯π接触的组合形成了三维结构。
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