Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenylthiazoliain-2-iminium bromide


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Duruskari G. S. , Khalilov A. N. , AKKURT M. , Mammadova G. Z. , Chyrka T., Maharramov A. M.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.75, pp.1544-1551, 2019 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 75
  • Publication Date: 2019
  • Doi Number: 10.1107/s2056989019013069
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Page Numbers: pp.1544-1551

Abstract

In the cation of the title salt, C9H12N3S+.Br-, the thiazolidine ring adopts an envelope conformation with the C atom adjacent to the phenyl ring as the flap. In the crystal, N-H center dot center dot center dot Br hydrogen bonds link the components into a three-dimensional network. Weak pi-pi stacking interactions between the phenyl rings of adjacent cations also contribute to the molecular packing. A Hirshfeld surface analysis was conducted to quantify the contributions of the different intermolecular interactions and contacts.