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


Akkurt M., Duruskari G. S., Toze F. A. A., Xəlilov Ə., Huseynova A. T.

Acta Crystallographica Section E: Crystallographic Communications, vol.74, pp.1168-1172, 2018 (Scopus) identifier identifier

Qısa məlumat

In the cation of the title salt, C16 H14 Cl2 N3 S+·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.