Crystal structure and Hirshfeld surface analysis of 2-amino-5-bromo-1,3,4-triazol-3-ium chloride monohydrate

anion and the water mol-ecule are linked by N-H⋯Cl, N-H⋯O and O-H⋯Cl hydrogen bonds, forming mol-ecular layers parallel to the (002) plane. The crystal packing is further reinforced by van der Waals inter-actions between these layers but C-H⋯π and π-π inter-actions are not observed. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to study the inter-molecular inter-actions.

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Publication Details

Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2026-04-29
DOI
https://doi.org/10.1107/s2056989026004378
Primary Topic
Crystal structures of chemical compounds
Type
article
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article

Crystal structure and Hirshfeld surface analysis of 2-amino-5-bromo-1,3,4-triazol-3-ium chloride monohydrate

Bаtirbаy Tоrаmbеtоv, Shakhnoza Kadirova, Gizachew Mulugeta Manahelohe, Khudayar I. Hasanov et al.
Acta Crystallographica Section E Crystallographic Communications
Crystal structures of chemical compounds
article

Crystal structure and Hirshfeld surface analysis of 2-amino-5-bromo-1,3,4-triazol-3-ium chloride monohydrate

Bаtirbаy Tоrаmbеtоv, Shakhnoza Kadirova, Gizachew Mulugeta Manahelohe, Khudayar I. Hasanov, Jamshid Ashurov, Mehmet Akkurt
article en

Abstract

anion and the water mol-ecule are linked by N-H⋯Cl, N-H⋯O and O-H⋯Cl hydrogen bonds, forming mol-ecular layers parallel to the (002) plane. The crystal packing is further reinforced by van der Waals inter-actions between these layers but C-H⋯π and π-π inter-actions are not observed. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to study the inter-molecular inter-actions.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 82(5)
Academy of Sciences Republic of Uzbekistan (UZ), Azerbaijan Medical University (AZ), National University of Uzbekistan (UZ), University of Gondar (ET), Erciyes University (TR)
Clean water and sanitation
Openalex Percentile: Top 19%
Crystal structures of chemical compounds
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