首页> 外文期刊>Journal of Molecular Structure >Crystals of the Kemp's triacid salts. Part IV: Supramolecular architecture in the crystal of tetra(melaminium) bis(5-carboxy-1,3,5-trimethylcyclo-hexane-1,3- dicarboxylate) pentahydrate
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Crystals of the Kemp's triacid salts. Part IV: Supramolecular architecture in the crystal of tetra(melaminium) bis(5-carboxy-1,3,5-trimethylcyclo-hexane-1,3- dicarboxylate) pentahydrate

机译:肯普氏三酸盐的晶体。第四部分:五水合四(三甲胺)双(5-羧基-1,3,5-三甲基环己烷-1,3-二羧酸酯)晶体的超分子结构

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摘要

Crystal: [2(C_(12)H_(16)0_6)~2_4(C_3H_7N_6)~_5(H_20)] is composed of two doubly deprotonated Kemp's triacid molecules (KTA~2), four singly protonated melamine (MEL-H~+) and five water molecules. In the crystal structure, protonated (MEL-H~+) moieties are interconnected via N_H. ..N hydrogen bonds into polymeric 1D-chain and form a stacking structure. The rings of the KTA dianionic molecules exhibit a chair conformation with all three carboxylic groups in the axial positions and all three methyl groups in the equatorial positions. In the KTA~2 anion, one strong and almost symmetrical intramolecular hydrogen bond is present. In the crystal of the complex, hydrogen-bonded chains involving intermolecular hydrogen bonds are formed. The water molecules act as proton-donors and proton-acceptors in three-dimensional hydrogen-bonded network within the supramolecular complex. 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:晶体:[2(C_(12)H_(16)0_6)〜2_4(C_3H_7N_6)__ 5(H_20)]由两个双去质子化的肯普三酸分子(KTA〜2),四个单质子化的三聚氰胺(MEL-H〜 +)和五个水分子。在晶体结构中,质子化的(MEL-H〜+)部分通过N_H互连。 ..N氢键键合到聚合的1D链中并形成堆叠结构。 KTA双阴离子分子的环表现出椅子构象,其中轴向位置的所有三个羧基和赤道位置的所有三个甲基。在KTA〜2阴离子中,存在一个强且几乎对称的分子内氢键。在配合物的晶体中,形成了涉及分子间氢键的氢键链。水分子在超分子复合物中的三维氢键网络中充当质子供体和质子受体。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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