| 双甜菜碱为客体包合物的三维氢键网格的构筑 |
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| 引用本文： | 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. |
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| 作者姓名： | 杨媛 申婧 秦好丽 |
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| 作者单位： | 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 |
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| 基金项目： | 国家自然科学基金(41967003) |
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| 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。
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| 关 键 词： | 双甜菜碱 硫脲 氢键 包合物 晶体结构 三维氢键网格 |
| 收稿时间： | 2020-12-24 |
Construction of Three-Dimensional Hydrogen-Bonding Network in the Inclusion Compound with Double Betaine as Guest |
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| 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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| Authors: | YANG Yuan SHEN Jing QIN Haoli |
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| Affiliation: | Key Lab of Functional Materials Chemistry of Guizhou Province, School of Chemistry and Materials Science,Guizhou Normal University, Guiyang 550001, China |
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| 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. |
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| Keywords: | double betaine thiourea hydrogen bond inclusion compound crystal structure three-dimensional hydrogen-bonding network |
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