2-(3-(4-乙酰氧基苯基)丙基)苯-1,3,5-三乙酸三酯(1)和4-(3-(4-乙酰氧基苯基)丙基)-5-羟基-1,3-苯二乙酸(2)的超分子结构

Li Wang, Rui Xu
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引用次数: 0

摘要

根皮素和乙酸酐分别酯化生成2-(3-(4-乙酰氧基苯基)丙基)苯-1,3,5-三乙酸三酯(1)、c25h22o9和4-(3-(4-乙酰氧基苯基)丙基)-5-羟基-1,3-苯二乙酸(2)、c21h20o8。它们的结构均为三维框架结构。在(1)中,含有两个分子内O··O相互作用的分子以二聚体形式存在,形成经典的环状r22 (9) C-H··O氢键相互作用。分子由C-H··O和C-H··π(芳烃)氢键连接。有趣的是,二聚体的两个分子发生不同的分子间相互作用。在(2)中,存在Caryl-H··O、csp3 -H··O和分子内氢键O-H··O的弱C-H·O相互作用。两个分子都具有环状r22(4)基序。这些氢键和相互作用似乎在控制分子构象方面起着重要作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Supramolecular Architectures of 2-(3-(4-acetoxyphenyl)propanoyl)benzene-1,3,5-triyl triacetate (1) and 4-(3-(4-acetoxyphenyl)propanoyl)-5-hydroxy-1,3-phenylene diacetate (2)
2-(3-(4-acetoxyphenyl)propanoyl)benzene-1,3,5-triyl triacetate (1), C 25 H 22 O 9 and 4-(3-(4-acetoxyphenyl)propanoyl)-5-hydroxy-1,3-phenylene diacetate (2), C 21 H 20 O 8 were formed via esterification of phloretin and acetic anhydride, respectively. Their structures all reveal three-dimensional framework structures. In (1), the molecule, which contains two intramolecular O···O interactions, is existed as dimer that forms classic cyclic R 22 (9) C-H···O hydrogen bonding interactions. The molecules are linked by a combination of C-H···O and C-H···π(arene) hydrogen bonds. It is interesting that two molecules of the dimer occur different intermolecular interactions. In (2), several weak C-H···O interactions of the types Caryl-H···O, C sp3 -H···O and intramolecular hydrogen bond O-H···O are present. Both molecules give cyclic R 22 (4) motif. These hydrogen bonds and interactions appear to play an important role in controlling the molecular conformation.
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