Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-dihydro-2<i>H</i>-benzimidazol-2-iminium 3-carboxy-4-hydroxybenzenesulfonate

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-di-hydro-2<i>H</i>-benzimidazol-2-iminium cations and two 2-hy-droxy-5-sulfobenzoate anions (<i>Z</i>' = 2). In the crystal, the mol-ecules inter-act through N-H⋯O, O-H⋯O hydrogen bonds and C-O⋯π contacts. The hydrogen-bonding inter-actions 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%.

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Publication Details

Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2024-09-06
DOI
https://doi.org/10.1107/s2056989024008557
Primary Topic
Crystal structures of chemical compounds
Type
article
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article

Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-dihydro-2H-benzimidazol-2-iminium 3-carboxy-4-hydroxybenzenesulfonate

Akmaljon Tojiboev, Jamshid Ashurov, Shahlo Daminova, Salmon Mukhammadiev et al.
Acta Crystallographica Section E Crystallographic Communications
Crystal structures of chemical compounds
article

Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-dihydro-2H-benzimidazol-2-iminium 3-carboxy-4-hydroxybenzenesulfonate

Akmaljon Tojiboev, Jamshid Ashurov, Shahlo Daminova, Salmon Mukhammadiev, Sarvar Rajabov, Sardor Murodov
article en

Abstract

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-di-hydro-2<i>H</i>-benzimidazol-2-iminium cations and two 2-hy-droxy-5-sulfobenzoate anions (<i>Z</i>' = 2). In the crystal, the mol-ecules inter-act through N-H⋯O, O-H⋯O hydrogen bonds and C-O⋯π contacts. The hydrogen-bonding inter-actions 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%.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 80(10)
Academy of Sciences Republic of Uzbekistan (UZ), Tashkent State University of Law (UZ), National University of Uzbekistan (UZ)
Clean water and sanitation
Openalex Percentile: Top 89%
Crystal structures of chemical compounds
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