Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide N,N-dimethylformamide monosolvate

Abstract

In the cation of the title salt, C17H18N3S+·Br−·C3H7NO, the central thiazolidine ring adopts an envelope conformation with puckering parameters Q(2) = 0.310 (3) Å and φ(2) = 42.2 (6)°. In the crystal, each cation is connected to two anions by N—H... Br hydrogen bonds, forming an R42(8) motif parallel to the (10\overline{1}) 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...H (55.6%), C...H/H...C (17.9%) and Br...H/H...Br (7.0%) interactions, as concluded from a Hirshfeld analysis.

Keywords

• crystal structure
• thiazolidine
• envelope conformation
• n,n-dimethylformamide
• hirshfeld surface analysis