Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-di-chloro-benzyl-idene)amino]-5-phenyl-thia-zolidin-2-iminium bromide

Acta Crystallogr E Crystallogr Commun. 2018 Jul 27;74(Pt 8):1168-1172. doi: 10.1107/S2056989018010496. eCollection 2018 Aug 1.

Abstract

In the cation of the title salt, C16H14Cl2N3S+·Br-, the central thia-zolidine ring adopts an envelope conformation. The phenyl ring is disordered over two sites with a refined occupancy ratio of 0.541 (9):0.459 (9). In the crystal, C-H⋯Br and N-H⋯Br hydrogen bonds link the components into a three-dimensional network with the cations and anions stacked along the b-axis direction. Weak C-H⋯π inter-actions, which only involve the minor disorder component of the ring, also contribute to the mol-ecular packing. In addition, there are also inversion-related Cl⋯Cl halogen bonds and C-Cl⋯π (ring) contacts. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter-molecular inter-actions.

Keywords: 2,3-di­chloro­benzene; Hirshfeld surface analysis; crystal structure; hydrogen bonding; iminium salt; thia­zolidine ring.

Grants and funding

This work was funded by Baki Dövl\#601;t Universiteti grant .