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合成新型大豆甙元衍生物Cd(II)配合物[Cd(L)(H2O)3]·2H2O(H2L=3’-磺酸钠-4’-羟基-7-羧甲基异黄酮),采用单晶X射线衍射、元素分析和IR对其进行表征.该配合物属单斜晶系,空间群为P21/a,晶胞参数a=1.3691(3)nm,b=0.72157(16)nm,c=2.0163(5)nm,α=90°,β=93.501(4)°,γ=90°,V=1.9882(8)nm3,Mr=592.79,Z=4,Dc=1.980g·cm-3,F(000)=1192,μ=1.283mm-1,R1=0.0387,wR2=0.1224.X射线单晶衍射分析结果表明,该单晶中Cd(II)为六配位,它除了与配体L中羧基和磺酸基上的氧原子配位外,还与溶剂中的3个水分子发生配位,形成了以Cd(II)为中心的八面体配位构型.该晶体结构中存在着平行于b轴的双螺旋链,左手螺旋Cd-L链和右手螺旋Cd-L链的交替排列构成了二维层状结构.由于配位水和晶格水以及配体中CO2,SO3,O,CO,OH等的存在,该晶体中存在着丰富而复杂的氢键,二维层状结构之间依靠这些复杂的氢键作用形成三维超分子结构.
Synthesis of a new type of daidzein derivative Cd (II) complex [Cd (L) (H2O) 3] · 2H2O (H2L = sodium 3’-sulfonate-4’-hydroxy-7-carboxymethyl isoflavone) Single crystal X-ray diffraction, elemental analysis and IR were used to characterize the complex. The complex belongs to monoclinic system with space group P21 / a, cell parameters a = 1.3691 (3) nm and b = 0.72157 = c = 2.0163 (5) nm, α = 90 °, β = 93.501 (4) °, γ = 90 °, V = 1.9882 (8) nm3, Mr = 592.79, Z = 4, Dc = 1.980 g · cm -3 , F (000) = 1192, μ = 1.283mm-1, R1 = 0.0387, wR2 = 0.1224.The result of X-ray single crystal diffraction analysis shows that Cd (II) L in the carboxyl and sulfonic acid on the oxygen atoms coordination, but also with the solvent in the three water molecules coordinate to form a Cd (II) -centered octahedral coordination center structure exists in the crystal structure The double-helix chain parallel to the b-axis and the left-handed helix Cd-L chain and the right-handed helical Cd-L chain are alternately arranged to form a two-dimensional layered structure.Due to coordination water and lattice water and the ligands CO2, SO3, O, CO, OH and so on. There are rich and complex hydrogen bonds in these crystals, and these two-dimensional layered structures rely on these complex hydrogen bonds to form three-dimensional supramolecular structures.