二对甲苯磺酸乙二醇酯的合成与表征

Synthesis and characterization of 1,2-bis(p-tolylsulfonato)ethane

以对甲苯磺酰氯和乙二醇为原料合成了二对甲苯磺酸乙二醇酯,采用红外光谱和元素分析对其进行了表征,并用X-射线晶体衍射的方法测定了其晶体结构.该晶体属于单斜晶系,C2/c空间群,晶胞参数a=1.071 38(17)nm,b=1.036 80(16)nm,c=1.570 3(2)nm;每个晶胞中所含分子数Z=4,晶体密度计算值Dcalc=1.411 g/cm3.整个分子结构呈"蝙蝠"状,分子间存在C—H…O弱相互作用.红外光谱和元素分析与实验结果一致.

The title compound, 1,2 - bis （p - tolylsulfonato） ethane, was synthesized from 1,2 - ethandiol and p -toluene sulfonylchloride, and was characterized by elemental analysis and IR. And its crystal structure was determined by X - ray single - crystal diffraction. The results of X - ray single - crystal diffraction show that the title compound is crystallized in the monoclinic system and C2/c space group with a=1. 071 38（17） nm,b=1. 036 80（16） nm,c=1. 570 3（2） nm,Z=4,Dcalc=1. 411 g/cm^3. The molecule adopts a bat - like conformation and there are weak C-H…O bonds among the adjacent molecules. The data of FT - IR and elemental analysis are in accordance with that from the X - ray single - crystal diffraction.