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 (ESCI, Scopus)

• Publication Type: Article / Article
• Volume: 75
• Publication Date: 2019
• Doi Number: 10.1107/s2056989019013069
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.1544-1551
• Open Archive Collection: AVESIS Open Access Collection
• Erciyes University Affiliated: Yes

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.