Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-methylbenzyliciene)amino]-5-phenyithia-zolidin-2-iminium bromide N,N-dimethyl-formamide monosolvate


Duruskari G. S. , Khalilov A. N. , Mammadova G. Z. , TÜRKTEKİN ÇELİKESİR S. , AKKURT M. , Akobirshoeva A. A. , ...Daha Fazla

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.76, ss.1694-1704, 2020 (ESCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 76
  • Basım Tarihi: 2020
  • Doi Numarası: 10.1107/s2056989020012712
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Sayfa Sayıları: ss.1694-1704

Özet

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.