Author/Authors :
Duruskari, Gulnara Sh. Organic Chemistry Department - Baku State University, Azerbaijan , Khalilov, Ali N. Organic Chemistry Department - Baku State University, Azerbaijan , Akkurt, Mehmet Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Mammadova, Gunay Z. Organic Chemistry Department - Baku State University, Azerbaijan , Chyrka, Taras Department of Theoretical and Industrial Heat Engineering (TPT), National Technical University of Ukraine - "Igor Sikorsky Kyiv Polytechnic Institute", Ukraine , Maharramov, Abel M. Organic Chemistry Department - Baku State University, Azerbaijan
Abstract :
In the cation of the title salt, C9H12N3S+·Br−, the thiazolidine ring adopts an envelope conformation with the C atom adjacent to the phenyl ring as the flap. In the crystal, N—H⋯Br hydrogen bonds link the components into a three-dimensional network. Weak π–π stacking interactions between the phenyl rings of adjacent cations also contribute to the molecular packing. A Hirshfeld surface analysis was conducted to quantify the contributions of the different intermolecular interactions and contacts.
Keywords :
crystal structure , charge-assisted hydrogen bonding , thiazolidine ring , Hirshfeld surface analysis
