合成了硫脲和富马酸为主体晶格的正四丁基铵阳离子包合物(C4H9)4N^+.12C4H2O42-.12C4H4O4.3(NH2)2CS,并通过单晶X射线衍射法对其进行了晶体结构测定.结果表明:晶体属三斜晶系,P1(No.2)空间群,a=0.946 20(13)nm,b=1.184 28(16)nm,c=1.670 3(2)nm,α=93.742(2)°,β=91.171(2)°,γ=109.783(2)°,Z=2,V=1.755 7(4)nm^3,Dc=1.108 g.cm^-3,μ(MoKα)=0.071 mm^-1,F(000)=636,对6 113个独立衍射点的最终偏离因子R1=0.091 0.包合物中,独立的硫脲分子间通过氢键连接,形成沿(001)点阵面无限延伸的二维氢键褶皱网格,构成类长方形管道的1对管壁,富马酸分子与富马酸阴离子间以氢键连接形成二聚体,构成管道的另一对管壁,每个管道内包含了2列规则排列的正四丁基铵阳离子(n-C4H9)4N^+.
A new inclusion complex, (C4H9)4N^+.12C4H2O42-.12C4H4O4.3(NH2)2CS, is prepared and characterized by X-ray crystallography. Crystal data: triclinic, space group P 1(No. 2), a=0. 946 20(13) nm, b 1. 184 28(16) nm, c=1. 670 3(2) nm, α=93. 742(2)°,β=91. 171(2)°, γ=109. 783(2)°, Z=2, V:1. 755 7 (4) nm^3, Dc=1. 108 g·cm^-3, μ(MoKα):0. 071 mm ^-1, F(000) =636 and R1 =0. 091 0 for 6 113 independent reflections. In the crystal structure of the title compound, a pair of opposite walls of the rectangle channel-like lattice are built of a parallel arrangement of puckered thiourea layers that are interlinked by three independent thiourea molecules through N-H…S hydrogen bonds and extended to a (001) family of plane. Another pair of walls is formed by dimers of fumarate molecule and fumarate anion. The tetra-n-butylammonium cations are stacked to give two columns within each channel with cross-sectional size of about 0. 946 × 0. 138 8 nm^2.