[Co(H_2O)]_6(C_(18)H_(15)O_4SO_3)_2·4H_2O的合成和晶体结构(英文)

Synthesis and Crystal Structure of [Co(H_2O)_6](C_(18)H_(15)O_4SO_3)_2·4H_2O

以芒柄花素为先导化合物,合成了水溶性的[Co(H2O)6](C18H15O4SO3)2.4H2O,并采用IR,1H NMR, TG-DTA, XRD和单晶X射线衍射法对其结构进行了表征。单晶X射线衍射结果表明:[Co(H2O)6]2 +、C18H15O4SO3-和H2O之间存在多种氢键,形成晶体结构中的亲水区。异黄酮骨架间反平行排列,面对面和边对面芳香堆积作用同时存在于其中,构成晶体结构中的疏水区。磺酸根是连接亲水区和疏水区的桥梁。氢键、芳香堆积作用以及阴阳离子之间的静电引力共同将标题化合物组装成具有三维网络结构的超分子。

The water-soluble hexaaquacobalt（II） bis（monoethoxyformononetin-3′-sulfonate） tetrahydrate（[Co（H2O）6]（C18H15O4SO3）2·4H2O） was synthesized using formononetin as lead compound and characterized by IR,1H NMR,TG-DTA,XRD and single-crystal X-ray diffraction analysis.Single-crystal X-ray diffraction analysis shows that [Co（H2O）6]2＋,C18H15O4SO-3 and H2O form several kinds of hydrogen bonds,which consist of the hydrophilic regions of title compound.The isoflavone skeletons are arranged in an anti-parallel fashion,aromatic F-tape and T-tape stacking interactions exist among them,which form the hydrophobic regions of title compound.The sulfo-group is an important bridge as a structural link between the hydrophilic region and the hydrophobic region.The hydrogen bonds,aromatic stacking interactions and the electrostatic interactions between the cation [Co（H2O）6]2＋ and the anion sulfonate C18H15O4SO3-lead to the moieties into supramolecule with a three-dimensional structure.