Author/Authors :
Duruskari, Gulnara Sh. Organic Chemistry Department - Baku State University, Azerbaijan , Khalilov, Ali N. Organic Chemistry Department - Baku State University, Azerbaijan , Mammadova, Gunay Z. Organic Chemistry Department - Baku State University, Azerbaijan , Çelikesir, Sevim Türktekin Department of Physics - Faculty of Sciences, Turkey , Akkurt, Mehmet Department of Physics - Faculty of Sciences, Turkey , Akobirshoeva, Anzurat A. Academy of Science of the Republic of Tadzhikistan - Kh. Yu. Yusufbekov Pamir Biology Institute, Tajikistan , Maharramov, Abel M. Organic Chemistry Department - Baku State University, Azerbaijan
Abstract :
In the cation of the title salt, C17H18N3S+ BrC3H7NO, the central thiazolidine
ring adopts an envelope conformation with puckering parameters Q(2) =
0.310 (3) A˚ and ’(2) = 42.2 (6). In the crystal, each cation is connected to two
anions by N—H Br hydrogen bonds, forming an R4 2 (8) motif parallel to the
(101) plane. van der Waals interactions between the cations, anions and N,Ndimethylformamide molecules further stabilize the crystal structure in three
dimensions. The most important contributions to the surface contacts are from
HH (55.6%), CH/HC (17.9%) and BrH/HBr (7.0%) interactions,
as concluded from a Hirshfeld analysis.
Keywords :
Hirshfeld surface analysis , N,N-dimethylformamide , envelope conformation , thiazolidine , crystal structure
