三维超分子化合物[Zn(C_6H_4O_2N)_2·(H_2O)_4]_n的水热合成及晶体结构  

Hydrothermal synthesis and crystal structure of a 3-D supermolecular structure [Zn(C_6H_4O_2N)_2·(H_2O)_4]_n

作　　者：杜巧云[1] 韩培林[1] 田雨[2] 

机构地区：[1]洛阳师范学院化学系,河南洛阳471022 [2]化工部黎明化工研究院分析测试中心,河南洛阳471000

出　　处：《化学试剂》2005年第11期667-670,共4页Chemical Reagents

摘　　要：用2-羧基吡啶和六水合氯化锌反应制备了一种新的三维氢键超分子配合物,经X-射线衍射分析确定了单晶结构。该晶体属单斜晶系,P2(1)/n空间群,晶胞参数为:a=9.836(2),b=5.2256(10),c=14.611(3),Mr=381.64,β=90.01(3)°,V=751.0(3)3,Z=2,Dc=1.688Mg.m-3,F(000)=392,μ=1.680mm-1,R=0.0258,wR=0.0612。共收集2159个衍射数据,其中1273个为独立衍射点(Rint=0.0332),可观测点数1139个(I>2σ(I))。结果表明,在组成该超分子体系的基本结构单元[Zn(C6H4O2N)2.(H2O)4]中,Zn(Ⅱ)离子形成六配位的畸变的八面体构型,配合物单元之间通过氢键OH…O相互连接,形成了无限延伸的具有网状结构的三维超分子体系。A supermolecular compound has been synthesized by reaction of picolinic acid and ZnCl2·6H2O, and its structure was determined by means of single-crystal X-ray diffraction. The crystal was monoclinic system with P2 （ 1 ） / n space group. The cell parameters were ： a = 9. 836 （ 2 ） A, b = 5. 2256 （ 10 ） A, c = 14.611（3）A, Mr = 381.64,β = 90.01 （3）°, V = 751.0（3） A3, Z =2,Dc= 1.688Mg·m^-3, F（000） = 392,μ = 1.680mm^-1, R = 0.0258, wR = 0.0612. It consisted of [ Zn （ C6H4O2N）2 · （H2O）4] units in which the Zn（ Ⅱ ）ion was located in a slightly distorted octahedral center, each unit was connected by the OH…O hydrogen bonds to form a three-dimensional network structure.

关 键 词：2-羧基吡啶 锌(Ⅱ) 晶体结构 超分子体系 氢键 

分 类 号：O76[理学—晶体学]