Crystal structure and Hirshfeld surface analysis of ( E )-3-(benzyl-idene-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., 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] 2020 Feb 21; Vol. 76 (Pt 3), pp. 427-431. Date of Electronic Publication: 2020 Feb 21 (Print Publication: 2020).
DOI: 10.1107/S2056989020001899
Abstrakt: The central thia-zolidine ring of the title salt, C 16 H 16 N 3 S + ·Br - , adopts an envelope conformation, with the C atom bearing the phenyl ring as the flap atom. In the crystal, the cations and anions are linked by N-H⋯Br hydrogen bonds, forming chains parallel to the b -axis direction. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (46.4%), C⋯H/H⋯C (18.6%) and H⋯Br/Br⋯H (17.5%) inter-actions.
(© Duruskari et al. 2020.)
Databáze: MEDLINE
Externí odkaz: