3-(2-甲基- 1h -咪唑-3-ium) 5-碳氧苯-1,3-二羧酸3,5-碳氧苯甲酸酯的合成与结构

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-04-01 DOI:10.1107/S2056989025002063

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

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引用次数: 0

摘要

用单晶x射线衍射测定了三（2-甲基- 1h -咪唑-3-ium）二氢三酸酯-一氢三酸酯2-化合物的结构。该化合物是质子化分子和去质子化分子的混合物。标题盐3C4H7N2+·C9H5O6−·C9H4O62−，1的结构由3个2-甲基咪唑阳离子和一个单双去质子形式的三羧酸作为阴离子组成。对键长和键角的详细分析揭示了化合物1与先前报道的2-甲基- 1h -咪唑-3-ium 3,5-二碳水化合物-氧苯甲酸酯结构的异同[Baletska et al.(2023)]。Acta结晶。[E79, 1088-109]，以及离子的中性对应物。对晶体填料的检查表明，阴离子与阳离子形成了平行于ab平面的之字形平面，形成了无限链。填料相互作用主要由π -π相互作用和阴离子间的氢键驱动。

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Synthesis and structure of tris(2-methyl-1H-imidazol-3-ium) 5-carboxybenzene-1,3-dicarboxylate 3,5-dicarboxybenzoate

The structure of a tris(2-methyl-1H-imidazol-3-ium) dihydrogenetrimesate⁻ monohydrogentrimesate²⁻ compound was determined by single-crystal X-ray diffraction. The compound is mixture of protonated and deprotonated molecules.

The structure of the title salt, 3C₄H₇N₂⁺·C₉H₅O₆⁻·C₉H₄O₆²⁻, 1, 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 1 and the previously reported 2-methyl-1H-imidazol-3-ium 3,5-dicarboxybenzoate structure [Baletska et al. (2023). Acta Cryst. E79, 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 ab plane. The packing interactions are primarily driven by π–π interactions and hydrogen bonding between anions.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.