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

Authors :
Akkurt, Mehmet
Duruskari, Gulnara Sh.
Toze, Flavien A. A.
Khalilov, Ali N.
Huseynova, Afat T.
Source :
Acta Crystallographica Section E: Crystallographic Communications; Aug2018, Vol. 74 Issue 8, p1168-1172, 11p
Publication Year :
2018

Abstract

In the cation of the title salt, C<subscript>16</subscript>H<subscript>14</subscript>C<subscript>12</subscript>N<subscript>3</subscript>S<superscript>+</superscript>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...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... πinteractions, which only involve the minor disorder component of the ring, also contribute to the molecular packing. In addition, there are also inversion-related C1...C1 halogen bonds and C -- C I...π(ring) contacts. A Hirshfeld surface analysis was conducted to verify the contributions of the different intermolecular interactions. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20569890
Volume :
74
Issue :
8
Database :
Complementary Index
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
131100146
Full Text :
https://doi.org/10.1107/S2056989018010496