双甜菜碱为客体包合物的三维氢键网格的构筑

人工晶体学报 ›› 2021, Vol. 50 ›› Issue (3): 530-535.

双甜菜碱为客体包合物的三维氢键网格的构筑

杨媛, 申婧, 秦好丽

贵州师范大学化学与材料科学学院,贵州省功能材料化学重点实验室,贵阳 550001

收稿日期:2020-12-24 出版日期:2021-03-15 发布日期:2021-04-15
通信作者: 秦好丽,博士,教授。E-mail:hollyqin@126.com
作者简介:杨媛(1977—),女,贵州省人,博士,副教授。E-mail:yang1yuan2@126.com
基金资助:
国家自然科学基金(41967003)

Construction of Three-Dimensional Hydrogen-Bonding Network in the Inclusion Compound with Double Betaine as Guest

YANG Yuan, SHEN Jing, QIN Haoli

Key Lab of Functional Materials Chemistry of Guizhou Province, School of Chemistry and Materials Science,Guizhou Normal University, Guiyang 550001, China

Received:2020-12-24 Online:2021-03-15 Published:2021-04-15

摘要/Abstract

摘要： 利用硫脲和双甜菜碱制备了一种新型的包合物 [^-OOCCH₂N⁺(CH₃)₂]₂(CH₂)₃·4(NH₂)₂CS,用X射线单晶衍射方法测定其晶体结构。结果表明,晶体属三斜晶系,P1ˉ空间群, 其中a=0.884 5(2) nm,b=0.936 7(2) nm,c=0.946 4(3) nm,α=91.591(2)°,β=91.591(2)°,γ=91.591(2)°,Z=1,R₁=0.039 9, wR₂=0.100 6(I>2σ(I))。在标题化合物的晶体结构中,硫脲分子通过N-H…S氢键肩并肩相连形成四聚体,客体分子的羧基通过N-H…O氢键连接硫脲四聚体形成氢键层,客体阳离子部分夹在相邻的氢键层中,形成三明治晶体结构。

关键词: 双甜菜碱, 硫脲, 氢键, 包合物, 晶体结构, 三维氢键网格

Abstract: A novel inclusion compound [^-OOCCH₂N⁺(CH₃)₂]₂(CH₂)₃·4(NH₂)₂CS has been prepared with thiourea and double betaine, and the crystal structure was characterized by single crystal X-ray diffraction. Crystal structural analysis shows that the complex is triclinic, with space group P1¯, a=0.884 5(2) nm, b=0.936 7(2) nm, c=0.946 4(3) nm, α=91.591(2)°, β=91.591(2)°, γ=91.591(2)°, Z=1, R₁=0.039 9, wR₂=0.100 6(I>2σ(I)). In the crystal structure of the title compound, thiourea molecules are connected side by side through N-H…S hydrogen bonds to form a tetramer. The hydrogen bond layer is formed by carboxyl groups of the guest molecules and the thiourea tetramer through N-H…O hydrogen bonds. And the guest dications are sandwiched between adjacent hydrogen bonding layers to form a sandwich crystal structure.

Key words: double betaine, thiourea, hydrogen bond, inclusion compound, crystal structure, three-dimensional hydrogen-bonding network

中图分类号:

O723

杨媛, 申婧, 秦好丽. 双甜菜碱为客体包合物的三维氢键网格的构筑[J]. 人工晶体学报, 2021, 50(3): 530-535.

YANG Yuan, SHEN Jing, QIN Haoli. Construction of Three-Dimensional Hydrogen-Bonding Network in the Inclusion Compound with Double Betaine as Guest[J]. Journal of Synthetic Crystals, 2021, 50(3): 530-535.

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