高等学校化学学报

高等学校化学学报 ›› 2002, Vol. 23 ›› Issue (12): 2296.

• 研究论文 • 上一篇    下一篇

尿素-富马酸根-水分子为主体晶格的四乙基铵离子包合物的合成与晶体结构

张锦楠2, 叶玲2, 郑筱燕1, 李奇1   

  1. 1. 北京师范大学化学系, 北京100875;
    2. 首都医科大学基础医学院化学教研室, 北京100054
  • 收稿日期:2001-07-02 出版日期:2002-12-24 发布日期:2002-12-24
  • 通讯作者: 李　奇(1950年出生),男,博士,副教授,从事结晶化学和包合物化学等方面的研究.E-mail:qili@bnu.edu.cn E-mail:qili@bnu.edu.cn
  • 基金资助:

    国家自然科学基金(批准号:29973005)资助

Synthesis and Crystal Structures of Tetraethyl Ammonium Inclusion Complex with Urea, Fumarate and Water Molecules as Anionic Host Lattice Building

ZHANG Jin-Nan2, YE Ling2, ZHENG Xiao-Yan1, LI Qi1   

  1. 1. Department of Chemistry, Beijing Normal University, Beijing 100875, China;
    2. Department of Chemistry, Basic Medical College, Capital University of Medical Science, Beijing 100054, China
  • Received:2001-07-02 Online:2002-12-24 Published:2002-12-24

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被引次数

8

摘要： 合成一种新的尿素-阴离子复合主体晶格包合物,(C2H5)4N+[C4H2O42-]1/2·CO(NH2)2·H2O,并进行了X射线晶体结构分析.晶体为单斜晶系,C2/c(No.15)空间群,a=1.7909(5)nm,b=1.4431(4)nm,c=1.4443(3)nm,β=126.76(2)°,V=2.9905(13)nm3,Z=4,R1=0.0647,wR=0.0735.包合物中,两个尿素分子通过一对N—H…O氢键以通常的“肩并肩”方式连接起来,形成一个二聚体.这些二聚体沿c轴方向依次排列,每两个相邻二聚体间生成的氢键将它们连接成一个沿(001)方向延伸的锯齿形扭带.由c滑移面相关连的富马酸阴离子以水分子为桥,由O(W)—H…O氢键连成一条宽带,沿c轴方向延伸.这些富马酸根-水分子复合氢键宽带与尿素纽带交替平行排列,由此形成了一个平行于ac面的氢键层.四乙基铵离子层填充在b=1/4和b=3/4处的主体晶格的层间空隙处,构成“三明治”式夹层结构的包合物.

关键词: 尿素, 富马酸, 季铵离子, 包合物, 晶体结构

Abstract: A new inclusion complex, (C2H5)4N+[C4H2O42-] 1/2·CO(NH2) 2·H2O, has been prepared and characterized by X-ray crystallography. Crystal data: space group C2/c(No.15), a=1.790 9(5) nm, b=1.443 1(4) nm, c=1.444 3(3) nm, β=126.76(2)°, V=2.990 5(13) nm3, Z=4, F(000)= 1 168, μ=0.09 mm-1, R1=0.064 7 for 2 088 observed Mo Kα data (|F|2≥2.0σ|F|2). In the crystal structure of the title compound, two urea molecules are linked by a pair of N-H...O hydrogen bonds in the usual shoulder-to-shoulder manner to generate a dimer. These hydrogen-bonded urea dimers are alternately linked by additional pairs of N-H...O hydrogen bonds to form an approximately planar ribbon oriented parallel to the c axis. Bridged alternately by donor O(W)-H...O hydrogen bonds from the water molecules, the fumarate anions form a zigzag wide ribbon running parallel to the c axis. The parallel, alternate arrangement of these two kinds of complementary ribbons facilitates cross-linkage by N-H...O hydrogen bonds to form a puckered anionic layer normal to b axis. The title complex features a sandwich-like structure in which the tetraethylammonium cations occupy the space between urea-fumarate-water layers.

Key words: Urea, Fumarate, Tetraalhyl ammonium cation, Inclusion compound, Crystal structure

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