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Synthesis and crystal structures of three inclusion compounds of 2, 2’-bis (4-hydroxyphenyl) propane and tetraalkylammonium

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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… Click to show full abstract

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.

Keywords: hydroxyphenyl propane; shape; bis hydroxyphenyl; crystal structures; tetraalkylammonium

Journal Title: Molecular Crystals and Liquid Crystals
Year Published: 2020

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