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

IF 0.6 Q4 CRYSTALLOGRAPHY Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-04-01 Epub Date: 2025-03-11 DOI:10.1107/S2056989025002063
Lina Maria Asprilla-Herrera , Simone Techert , Jose de Jesus Velazquez-Garcia
{"title":"Synthesis and structure of tris­(2-methyl-1H-imidazol-3-ium) 5-carb­oxy­benzene-1,3-di­carboxyl­ate 3,5-di­carb­oxy­benzoate","authors":"Lina Maria Asprilla-Herrera ,&nbsp;Simone Techert ,&nbsp;Jose de Jesus Velazquez-Garcia","doi":"10.1107/S2056989025002063","DOIUrl":null,"url":null,"abstract":"<div><div>The structure of a tris­(2-methyl-1<em>H</em>-imidazol-3-ium) di­hydrogenetrimesate<sup>−</sup> mono­hydrogentrimesate<sup>2−</sup> compound was determined by single-crystal X-ray diffraction. The compound is mixture of protonated and deprotonated mol­ecules.</div></div><div><div>The structure of the title salt, 3C<sub>4</sub>H<sub>7</sub>N<sub>2</sub><sup>+</sup>·C<sub>9</sub>H<sub>5</sub>O<sub>6</sub><sup>−</sup>·C<sub>9</sub>H<sub>4</sub>O<sub>6</sub><sup>2−</sup>, <strong>1</strong>, 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 <strong>1</strong> and the previously reported 2-methyl-1<em>H</em>-imidazol-3-ium 3,5-di­carb­oxy­benzoate structure [Baletska <em>et a</em>l. (2023). <em>Acta Cryst.</em> E<strong>79</strong>, 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 <em>ab</em> plane. The packing inter­actions are primarily driven by π–π inter­actions and hydrogen bonding between anions.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 4","pages":"Pages 303-309"},"PeriodicalIF":0.6000,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989025000623","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/3/11 0:00:00","PubModel":"Epub","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0

Abstract

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.
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
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
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。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
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.
期刊最新文献
Crystal structure and Hirshfeld surface analysis of the cocrystal formed between 2,3-di­amino­pyrazine and 2,3,5,6-tetra­fluoro­terephthalic acid Crystal structure and Hirshfeld surface analysis of the coordination compound di­aqua­[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ4N]magnesium(II) Crystal structure and Hirshfeld surface analysis of (E)-2-[(anthracen-9-yl­methyl­idene)amino]-4-nitro­aniline A second ortho­rhom­bic polymorph of 4-{[(1E,2E)-3-(4-meth­oxy­phen­yl)prop-2-en-1-yl­idene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one Crystal structure of a π-conjugated N-donor ligand-bridged anionic bis­muth(III) iodide one-dimensional coordination polymer
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1