脒基硫脲己二酸加合物的晶体结构研究

Study on the crystal structure of addition compound involving amidinothiourea and dipic acid

用X射线单晶衍射试验方法测定了脒基硫脲己二酸加合物2(C_2H_7N_4S)+·(C_6H_8O_4)^(2-)的晶体结构。晶体属单斜晶系,P21/n空间群,其中各种参数为a=0.530 24(6)nm,b=1.371 27(16)nm,c=1.183 05(14)nm,β=95.589(4)°,Z=2,R1=0.036 5,w R=0.097 2。在目标化合物的晶体结构中,脒基硫脲阳离子和己二酸阴离子交错排列,利用静电相互作用和氢键作用构成了二维的超分子氢键网络结构。

A new addition compound 2（C2H7N4S）＋·（C6H8O4）^2- had been prepared and characterized by X-ray crystallography. The crystal data of the compound showed as follows： monoclinic P21/n,a = 0. 530 24（6） nm,b = 1. 371 27（16） nm,c = 1. 183 05（14） nm,β = 95. 589（4） °,Z = 2,R1=0. 036 5,w R = 0. 097 2. In the crystal structure of the target compound,supramolecular structures of two-dimensional hydrogen bonds networks were formed by amidinothiourea cations and adipic acid anions through electrostatic interactions and hydrogen bonds.