1.
Acta Crystallogr E Crystallogr Commun
; 74(Pt 8): 1168-1172, 2018 Aug 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-30116586
RESUMO
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 0.541â (9):0.459â (9). In the crystal, C-Hâ¯Br and N-Hâ¯Br hydrogen bonds link the components into a three-dimensional network with the cations and anions stacked along the b-axis direction. Weak C-Hâ¯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 Clâ¯Cl halogen bonds and C-Clâ¯π (ring) contacts. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter-molecular inter-actions.