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三(2-甲基-1-咪唑-3-鎓)5-羧基苯-1,3-二羧酸酯3,5-二羧基苯甲酸酯的合成与结构

Synthesis and structure of tris-(2-methyl-1-imidazol-3-ium) 5-carb-oxy-benzene-1,3-di-carboxyl-ate 3,5-di-carb-oxy-benzoate.

作者信息

Asprilla-Herrera Lina Maria, Techert Simone, Velazquez-Garcia Jose de Jesus

机构信息

Department of Chemistry, Faculty of Natural and Exact Sciences, Universidad del, Valle, Calle 13 No. 100-00, 760042 Cali, Colombia.

Institut für Röntgenphysik, Georg-August-Universität Göttingen, Friedrich-Hund-Platz 1, 37077 Göttingen, Germany.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 Mar 11;81(Pt 4):303-309. doi: 10.1107/S2056989025002063. eCollection 2025 Apr 1.

Abstract

The structure of the title salt, 3CHN ·CHO ·CHO , , consists of three 2-methyl-imidazolium cations and both a single and a doubly deprotonated form of trimesic acid as anions. A detailed analysis of the bond lengths and angles reveals both differences and similarities between compound and the previously reported 2-methyl-1-imidazol-3-ium 3,5-di-carb-oxy-benzoate structure [Baletska l. (2023). E, 1088-109], as well as the neutral counterpart of the ions. Examination of the crystal packing shows the formation of infinite chains by the anions, which, along with the cations, form zigzag planes parallel to the plane. The packing inter-actions are primarily driven by π-π inter-actions and hydrogen bonding between anions.

摘要

标题盐3CHN·CHO·CHO的结构由三个2-甲基咪唑鎓阳离子以及均苯三甲酸的单去质子化和双去质子化形式作为阴离子组成。对键长和键角的详细分析揭示了该化合物与先前报道的2-甲基-1-咪唑-3-鎓3,5-二羧基苯甲酸盐结构[Baletska l. (2023). E, 1088 - 109]以及离子的中性对应物之间的差异和相似性。对晶体堆积的研究表明,阴离子形成了无限链,这些链与阳离子一起形成了平行于平面的锯齿形平面。堆积相互作用主要由阴离子之间的π-π相互作用和氢键驱动。

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