Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenyl-thia-zolidin-2-iminium bromide.

Autor: Duruskari GS; Organic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, Azerbaijan., Khalilov AN; Organic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, Azerbaijan.; Department of Physics and Chemistry, 'Composite Materials' Scientific Research Center, Azerbaijan State Economic University (UNEC), H. Aliyev str. 135, Az 1063, Baku, Azerbaijan., Akkurt M; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey., Mammadova GZ; Organic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, Azerbaijan., Chyrka T; Department of Theoretical and Industrial Heat Engineering (TPT), National Technical University of Ukraine, 'Igor Sikorsky Kyiv Polytechnic Institute', 03056, Kyiv, Ukraine., Maharramov AM; Organic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, Azerbaijan.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Sep 27; Vol. 75 (Pt 10), pp. 1544-1547. Date of Electronic Publication: 2019 Sep 27 (Print Publication: 2019).
DOI: 10.1107/S2056989019013069
Abstrakt: In the cation of the title salt, C 9 H 12 N 3 S + ·Br - , the thia-zolidine 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 inter-actions between the phenyl rings of adjacent cations also contribute to the mol-ecular packing. A Hirshfeld surface analysis was conducted to qu-antify the contributions of the different inter-molecular inter-actions and contacts.
(© Duruskari et al. 2019.)
Databáze: MEDLINE
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