硫尿、L-酒石酸根和水为主体晶格的四乙基铵层状包合物的合成及晶体结构  

Synthesis and Crystal Structure of Layer Type Inclusion Compound of Thiourea with Tetraethylammonium Tartrate and Water

作　　者：石梅[1] 张锦楠[2] 李奇[1] 

机构地区：[1]北京师范大学化学系,北京100875 [2]首都医科大学化学药理学系,北京100054

出　　处：《化学学报》2002年第6期1017-1022,共6页Acta Chimica Sinica

基　　金：国家自然科学基金 (No .2 99730 0 5 )资助项目

摘　　要：合成了一种新的硫尿 -阴离子主体晶格包合物 [(C2 H5) 4N+]2 C4H4O2 -6·2 (NH2 ) 2 CS·2H2 O ,并通过单晶X射线衍射法对其进行了晶体结构测定 .结果表明该晶体属单斜晶系 ,P2 1 空间群 ,晶胞参数a =0 .772 7(2 )nm ,b =1.470 7(4 )nm ,c=1.46 45 (4 )nm ,β =95 .16 1(5 )° ,Z =2 ,R1 =0 .0 488.晶体为“三明治”式夹层结构 ,波形平面主体氢键网状结构由 [酒石酸根 -硫尿2 ]三聚体形成的双纽带 ,在两个水分子的桥连氢键连接下形成的 .A new inclusion complex tetraethylammonium tartrate thiourea-water [(C2H5)(4)N+](2)C4H4O62-. 2(NH2)(2)CS. 2H(2)O has been prepared and characterized by X-ray crystallography. Crystal data: Mo Kalpha radiation, P2(1) space group with lattice parameters a = 0.7727 (2) nm, b = 1.4707 (4) nm, c = 1.4645 (4) nm, beta = 95.161 (5) degrees, Z = 2, R-1 = 0.0488 for 5421 observed data. In the crystal structure of the title compound, the water molecules are located between the parallel double ribbons formed by [(NH2)(2)CS . (C4H4O42-).(NH2)(2)CS] trimers and link them by hydrogen bonds to generate layer type host lattice. The tetraethylammonium cations are sandwiched between the puckered layers.

关 键 词：L-酒石酸根 层状包合物 合成 晶体结构 主体晶格 氢键 硫尿 分子间相互作用 超分子晶格 

分 类 号：O641[理学—物理化学]