Synthesis, structure and non-covalent interactions of 5-methyl-2,3-dihydrothiazolo[2,3-b]thiazolium halides
- Authors: Tarasova N.M1, Yushina I.D1, Kim D.G1, Sharutin V.V1
-
Affiliations:
- South Ural State University (National Research University)
- Issue: Vol 93, No 1 (2023)
- Pages: 58-66
- Section: Articles
- URL: https://journals.rcsi.science/0044-460X/article/view/144981
- DOI: https://doi.org/10.31857/S0044460X23010079
- EDN: https://elibrary.ru/OYVOZO
- ID: 144981
Cite item
Abstract
2,3-Dihydrothiazolo[2,3- b ]thiazolium iodides and bromide were obtained for the first time by the cyclization of corresponding metallyl- and propinylsulfanyl derivatives of 1,3-thiazole with iodine and bromine in dichloromethane without heating and the use of strong acids. The structure of the obtained compounds was studied by 1H, 13C{1H} NMR spectroscopy. Structure of the 3-iodomethyl-3,5-dimethyl-2,3-dihydrothiazolo[2,3- b ][1,3]thiazolium heterocyclic system is characterized by the X-ray analysis. The bonding in the heterocyclic system and non-covalent cation-anion interactions are analyzed on the basis of quantum chemical calculations with periodic boundary conditions; I···S chalcogen bond is discussed.
About the authors
N. M Tarasova
South Ural State University (National Research University)
Email: tarasovanm@susu.ru
I. D Yushina
South Ural State University (National Research University)
D. G Kim
South Ural State University (National Research University)
V. V Sharutin
South Ural State University (National Research University)
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