Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(4-methylbenzyliciene)amino]-5-phenyithia-zolidin-2-iminium bromide <i>N</i>,<i>N</i>-dimethyl-formamide monosolvate
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.76, pp.1694-1698, 2020 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 76
- Publication Date: 2020
- Doi Number: 10.1107/s2056989020012712
- Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.1694-1698
- Open Archive Collection: Article, Digital Heritage Collection
- Azerbaijan State University of Economics (UNEC) Affiliated: Yes
Abstract
In the cation of the title salt, C17H18N3S+center dot Br-center dot C3H7NO, the central thiazolidine ring adopts an envelope conformation with puckering parameters Q(2) = 0.310 (3) angstrom and phi(2) = 42.2 (6)degrees. In the crystal, each cation is connected to two anions by N-H center dot center dot center dot Br hydrogen bonds, forming an R-4(2)(8) motif parallel to the (10 (1) over bar) plane. van der Waals interactions between the cations, anions and N,N-dimethylformamide molecules further stabilize the crystal structure in three dimensions. The most important contributions to the surface contacts are from H center dot center dot center dot H (55.6%), C center dot center dot center dot H/H center dot center dot center dot C (17.9%) and Br center dot center dot center dot H/H center dot center dot center dot Br (7.0%) interactions, as concluded from a Hirshfeld analysis.