4-氨基-3-（噻吩-3-基甲基）-1,2,4-三唑-5（4H）-硫酮的晶体结构
Crystal structure of 4-amino-3-(thio-phen-3-ylmeth-yl)-1-1,2,4-triazole-5(4)-thione.
作者信息
Vu Quoc Trung, Nguyen Ngoc Linh, Do Truc Vy, Duong Khanh Linh, Ha Manh Hung, Thang Pham Chien, Van Meervelt Luc
机构信息
Faculty of Chemistry, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi, Vietnam.
Faculty of Basic Sciences, University of Mining and Geology, Duc Thang, Bac Tu Liem, Hanoi, Vietnam.
出版信息
Acta Crystallogr E Crystallogr Commun. 2017 Aug 30;73(Pt 9):1389-1392. doi: 10.1107/S2056989017012191. eCollection 2017 Sep 1.
In the title compound, CHNS, the thio-phene ring shows rotational disorder over two orientations in a 0.6957 (15):0.3043 (15) ratio. The plane of the 1,2,4-triazole ring makes a dihedral angle of 75.02 (17)° with the major-disorder component of the thiophene ring. In the crystal, two types of inversion dimers, described by the graph-set motifs (8) and (10), are formed by N-H⋯S inter-actions. Chains of mol-ecules running in the [101] direction are linked by weaker N-H⋯N inter-actions. The thio-phene ring is involved in π-π and C-H⋯π inter-actions.
在标题化合物CHNS中，噻吩环在两种取向上呈现旋转无序，比例为0.6957 (15):0.3043 (15)。1,2,4-三唑环的平面与噻吩环的主要无序组分形成75.02 (17)°的二面角。在晶体中，由N-H⋯S相互作用形成了两种由图式(8)和(10)描述的反演二聚体。沿[101]方向延伸的分子链通过较弱的N-H⋯N相互作用相连。噻吩环参与π-π和C-H⋯π相互作用。
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