Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-dichlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide

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AKKURT M. , Duruskari G. S. , Toze F. A. A. , Khalilov A. N. , Huseynova A. T.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.74, pp.1168-1178, 2018 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 74
  • Publication Date: 2018
  • Doi Number: 10.1107/s2056989018010496
  • Page Numbers: pp.1168-1178


In the cation of the title salt, C16H14Cl2N3S+center dot Br-, the central thiazolidine 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 center dot center dot center dot Br and N-H center dot center dot center dot 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 center dot center dot center dot pi interactions, which only involve the minor disorder component of the ring, also contribute to the molecular packing. In addition, there are also inversion-related Cl center dot center dot center dot Cl halogen bonds and C-Cl center dot center dot center dot pi (ring) contacts. A Hirshfeld surface analysis was conducted to verify the contributions of the different intermolecular interactions.