{"title":"Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-dihydro-2H-benzimidazol-2-iminium 3-carboxy-4-hydroxybenzenesulfonate","authors":"Salmon Mukhammadiev , Sarvar Rajabov , Akmaljon Tojiboev , Jamshid Ashurov , Sardor Murodov , Shahlo Daminova","doi":"10.1107/S2056989024008557","DOIUrl":null,"url":null,"abstract":"<div><div>The asymmetric unit of the title salt comprises two 1,3-dihydro-2<em>H</em>-benzimidazol-2-iminium cations and two 2-hydroxy-5-sulfobenzoate anions (<em>Z</em>′ = 2). In the crystal, the molecules interact through N—H⋯O, O—H⋯O hydrogen bonds and C—O⋯π contacts. The hydrogen-bonding interactions lead to the formation of layers parallel to (<blockquote><div><figure><img></figure></div></blockquote>01).</div></div><div><div>The asymmetric unit of the title salt, C<sub>7</sub>H<sub>8</sub>N<sub>3</sub><sup>+</sup>·C<sub>7</sub>H<sub>5</sub>O<sub>6</sub>S<sup>−</sup>, comprises two 1,3-dihydro-2<em>H</em>-benzimidazol-2-iminium cations and two 2-hydroxy-5-sulfobenzoate anions (<em>Z</em>′ = 2). In the crystal, the molecules interact through N—H⋯O, O—H⋯O hydrogen bonds and C—O⋯π contacts. The hydrogen-bonding interactions lead to the formation of layers parallel to (<blockquote><div><figure><img></figure></div></blockquote>01). Hirshfeld surface analysis revealed that H⋯H contacts contribute to most of the crystal packing with 38.9%, followed by H⋯O contacts with 36.2%.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 10","pages":"Pages 999-1002"},"PeriodicalIF":0.5000,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451492/pdf/","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/S2056989024002007","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
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Abstract
The asymmetric unit of the title salt comprises two 1,3-dihydro-2H-benzimidazol-2-iminium cations and two 2-hydroxy-5-sulfobenzoate anions (Z′ = 2). In the crystal, the molecules interact through N—H⋯O, O—H⋯O hydrogen bonds and C—O⋯π contacts. The hydrogen-bonding interactions lead to the formation of layers parallel to (
01).
The asymmetric unit of the title salt, C7H8N3+·C7H5O6S−, comprises two 1,3-dihydro-2H-benzimidazol-2-iminium cations and two 2-hydroxy-5-sulfobenzoate anions (Z′ = 2). In the crystal, the molecules interact through N—H⋯O, O—H⋯O hydrogen bonds and C—O⋯π contacts. The hydrogen-bonding interactions lead to the formation of layers parallel to (
01). Hirshfeld surface analysis revealed that H⋯H contacts contribute to most of the crystal packing with 38.9%, followed by H⋯O contacts with 36.2%.
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.
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