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


ABSTRACT: The structure of the title salt, 3C4H7N2 +·C9H5O6 -·C9H4O6 2-, 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-di-carb-oxy-benzoate 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 inter-actions are primarily driven by π-π inter-actions and hydrogen bonding between anions.

SUBMITTER: Asprilla-Herrera LM 

PROVIDER: S-EPMC11974331 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature

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Synthesis and structure of tris-(2-methyl-1&lt;i&gt;H&lt;/i&gt;-imidazol-3-ium) 5-carb-oxy-benzene-1,3-di-carboxyl-ate 3,5-di-carb-oxy-benzoate.

Asprilla-Herrera Lina Maria LM   Techert Simone S   Velazquez-Garcia Jose de Jesus JJ  

Acta crystallographica. Section E, Crystallographic communications 20250311 Pt 4


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>, <b>1</b>, 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 <b>1</b> and the previously reported 2-methyl-1<i>H</i>-imida  ...[more]

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