Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-dichlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.74, pp.1168-1178, 2018 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 74
- Publication Date: 2018
- Doi Number: 10.1107/s2056989018010496
- Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.1168-1178
- Open Archive Collection: AVESIS Open Access Collection
- Erciyes University Affiliated: Yes
Abstract
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.