Crystal structure and Hirshfeld surface analysis of 2-amino-5-bromo-1,3,4-triazol-3-ium chloride monohydrate
Bаtirbаy TоrаmbеtоvNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 UzbekistanMehmet AkkurtDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TürkiyeKhudayar I. HasanovAzerbaijan Medical University, Scientific Research Centre (SRC), A. Kasumzade St. 14, AZ 1022, Baku, AzerbaijanGizachew Mulugeta ManaheloheDepartment of Chemistry, University of Gondar, PO Box 196, Gondar, EthiopiaJamshid AshurovInstitute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, M. Ulugbek, St, 83, Tashkent, 100125, UzbekistanShakhnoza KadirovaNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 Uzbekistan
ABI
Abstract
In the title salt, C 2 H 3 BrN 3 S + ·Cl − ·H 2 O, the cation C 2 H 3 BrN 3 S + cation, the Cl − anion and the water molecule are linked by N—H...Cl, N—H...O and O—H...Cl hydrogen bonds, forming molecular layers parallel to the (002) plane. The crystal packing is further reinforced by van der Waals interactions between these layers but C—H...π and π–π interactions are not observed. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to study the intermolecular interactions.
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