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利用四唑吡啶(4-PTZ)与CdC l2.5H2O反应得到了一种新型超分子配合物[Cd(C6H5N5)2(H2O)2C l2].2H2O,通过元素分析、X-射线单晶衍射等技术测定了晶体结构,结果表明,配合物属三斜晶系,空间群P-1,a=0.3725(2)nm,b=0.7894(3)nm,c=0.8857(3)nm,β=90.173(3);°Z=1;R=0.0767。配合物的基本构建单元包含1个Cd(Ⅱ)原子、2个四唑吡啶、2个配位氯原子、2个配位水分子和2个游离水分子;Cd(Ⅱ)的配位数为6,处于畸变的八面体配位环境。紧邻单元通过氢键作用在bc面形成二维超分子层;层间通过氢键和π-π堆积作用扩展为三维超分子体系。
A novel supramolecular complex [Cd (C6H5N5) 2 (H2O) 2C12] 2 2H2O was obtained by the reaction of tetrazolopyridine (4-PTZ) with CdCl2.5H2O. The elemental analysis and X-ray single crystal diffraction The results show that the complex belongs to the triclinic system with space group P-1, a = 0.3725 (2) nm, b = 0.7894 (3) nm, c = 0.8857 (3) nm and β = 90.173 (3); ° Z = 1; R = 0.0767. The basic building block of the complex contains one Cd (Ⅱ) atom, two tetrazolopyridines, two coordination chlorine atoms, two coordination water molecules and two free water molecules. The coordination number of Cd (Ⅱ) 6, in a distorted octahedral coordination environment. The adjacent units form a two-dimensional supramolecular layer on the bc surface through hydrogen bonding; the layers expand to a three-dimensional supramolecular system through hydrogen bonding and π-π stacking.