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Synthesis and crystal structures of three inclusion compounds of 2, 2’-bis (4-hydroxyphenyl) propane and tetraalkylammonium
Molecular Crystals and Liquid Crystals ( IF 0.7 ) Pub Date : 2020-05-02 , DOI: 10.1080/15421406.2020.1731265
Yang Yun-Xia 1 , Xia Shi-Ying 1 , Zhang Hai-Xia 1 , Niu Hui-Hui 1
Affiliation  

Abstract Three complexes of (CH3)4N+·(C15H15O2)2H-·H2O (1), (CH3)4N+·C15H15O2-·H2O (2), and 2(C2H5)4N+·2C15H15O2-·C15H16O2·3H2O (3) have been prepared under the similar conditions by using 2, 2’-bis (4-hydroxyphenyl) propane as the host and tetraalkylammonium as the guest. Then, the complexes were characterized by X-ray single crystal diffraction. The results show that 1 and 2 are two polymorphs, and in complex 3, only the magnitude of the template is different from the former two complexes. Although, the hydrogen bonding of three compounds are all related to the traditional O-H…O hydrogen bonds between the phenolic hydroxyl groups and water molecules, they eventually form various channel frameworks with different shape of cavities, such as the peanut-like channels in complex 1, the cross-shape in complex 2, and varied hexagonal-shape and tetragonal-shape cavities in complex 3. And the corresponding guest cations are contained in these channels to build the related stable crystal structures. Obviously, 2,2’-bis (4-hydroxyphenyl)propane, as a more flexible “V” type host molecule with terminal hydroxyl groups, can interact with tetraalkylammonium template and the auxiliary water molecules to construct different host lattices, showing excellent ability of forming hydrogen bonds.

中文翻译:

2, 2'-双(4-羟基苯基)丙烷和四烷基铵三种包合物的合成及晶体结构

摘要 (CH3)4N+·(C15H15O2)2H-·H2O(1)、(CH3)4N+·C15H15O2-·H2O(2)和2(C2H5)4N+·2C15H15O2-·C15H16O2·3H2O(2)三种配合物具有以2, 2'-双(4-羟基苯基)丙烷为主体,四烷基铵为客体,在类似条件下制备。然后,通过 X 射线单晶衍射表征配合物。结果表明,1和2是两种多晶型物,而在配合物3中,只有模板的大小与前两种配合物不同。虽然,三种化合物的氢键都与酚羟基与水分子之间传统的OH…O氢键有关,但它们最终形成了各种不同形状空腔的通道框架,如复合物1中的花生状通道,复数 2 中的十字形,以及配合物3中各种六边形和四边形空腔。相应的客体阳离子包含在这些通道中以构建相关的稳定晶体结构。显然,2,2'-双(4-羟基苯基)丙烷作为一种更灵活的具有末端羟基的“V”型主体分子,可以与四烷基铵模板和辅助水分子相互作用,构建不同的主体晶格,表现出​​优异的形成氢键。
更新日期:2020-05-02
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