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RAS Chemistry & Material ScienceЖурнал общей химии Russian Journal of General Chemistry

  • ISSN (Print) 0044-460X
  • ISSN (Online) 3034-5596

Synthesis, structure and non-covalent interactions of 5-methyl-2,3-dihydrothiazolo[2,3-b]thiazolium halides

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PII
10.31857/S0044460X23010079-1
DOI
10.31857/S0044460X23010079
Publication type
Article
Status
Published
Authors
N. M Tarasova
  • Affiliation: South Ural State University (National Research University)
M. V. Kozlova
  • Affiliation: South Ural State University (National Research University)
Volume/ Edition
Volume 93 / Issue number 1
Pages
58-66
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.
Keywords
соли 2,3-дигидротиазоло[2,3-b]тиазолия рентгеноструктурный анализ теория функционала плотности галогенная связь халькогенная связь
Date of publication
15.01.2023
Year of publication
2023
Number of purchasers
0
Views
33

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