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Crystals of the Kemp's triacid salts - Part VI: Supramolecular architecture in the crystal of Kemp's triacid with tris(2-aminoethyl)amine

机译:肯普氏三酸盐的晶体-第六部分:肯普氏三酸与三(2-氨基乙基)胺的超分子结构

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摘要

A complex crystal [H_3KTA-TAEA-EA] is composed of triply deprotonated Kemp's triacid molecule (KTA~(3-)), triply protonated tris(2-aminoethyl)amine (H_3TAEA~(3+)) molecule and one ethanol molecule (EA) as a solvate. The ring of the (KTA~(3-)) trianion exhibits an uncommon twisted boat conformation with two carboxylic groups in the axial positions and one in the equatorial position. In the crystal each KTA~(3-) trianion is hydrogen-bonded with four H_3TAEA ~(3+) molecules forming three-dimensional hydrogen-bonded network within the supramolecular complex. The ethanol molecules form a uncommon dimer bonded by very weak tandem hydrogen bonds. The IR spectrum of the crystal is consistent with the results obtained by the X-ray study and provides spectroscopic evidence for the crystal formation.
机译:复合晶体[H_3KTA-TAEA-EA]由三重去质子化的肯普三酸分子(KTA〜(3-)),三重质子化的三(2-氨基乙基)胺(H_3TAEA〜(3+))分子和一个乙醇分子( EA)作为溶剂化物。 (KTA〜(3-))三价阴离子的环表现出不常见的扭曲舟形,在轴向位置带有两个羧基,在赤道位置带有一个羧基。在晶体中,每个KTA〜(3-)三价阴离子与四个H_3TAEA〜(3+)分子氢键形成超分子络合物内的三维氢键网络。乙醇分子形成通过非常弱的串联氢键键合的罕见二聚体。晶体的红外光谱与X射线研究获得的结果一致,并为形成晶体提供了光谱证据。

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