4-氨基-3-(1-萘氧基甲基)-1H-1,2,4-三唑-5(4H)-硫酮
4-Amino-3-(1-naphthyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione.
作者信息
Fun Hoong-Kun, Quah Ching Kheng, Vijesh A M, Malladi Shridhar, Isloor Arun M
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 4;66(Pt 1):o29-30. doi: 10.1107/S1600536809051368.
Abstract
In the title compound, C(13)H(12)N(4)OS, the dihedral angle between the triazole and naphthalene ring systems is 67.42 (5)°. In the crystal, adjacent mol-ecules are linked via two pairs of inter-molecular N-H⋯S inter-actions, forming R(2) (2)(8) and R(2) (2)(10) ring motifs. Weak C-H⋯S inter-actions generate infinite chains along [001] and the structure is further consolidated by C-H⋯π bonds and aromatic π⋯π stacking inter-actions [distance between the centroids of the triazole rings = 3.2479 (7) Å].
摘要
在标题化合物C₁₃H₁₂N₄OS中，三唑环与萘环系统之间的二面角为67.42（5）°。在晶体中，相邻分子通过两对分子间N-H⋯S相互作用相连，形成R₂²（8）和R₂²（10）环 motif。弱C-H⋯S相互作用沿[001]方向生成无限链，并且该结构通过C-H⋯π键和芳香π⋯π堆积相互作用[三唑环质心之间的距离 = 3.2479（7）Å]进一步巩固。
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