Synthesis, Structure, and Non-Covalent Interactions of 5-Methyl-2,3-dihydrothiazolo[2,3-b]thiazolium Halides

被引:1
|
作者
Tarasova, N. M. [1 ]
Yushina, I. D. [1 ]
Kim, D. G. [1 ]
Sharutin, V. V. [1 ]
机构
[1] Natl Res Univ, South Ural State Univ, Chelyabinsk 454080, Russia
关键词
2; 3-dihydrothiazolo[2; 3-b]thiazolium salts; X-ray diffraction analysis; density functional theory; halogen bond; chalcogen bond; HETEROCYCLIC-COMPOUNDS; DENSITY; SALTS; DERIVATIVES;
D O I
10.1134/S1070363223010048
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
2,3-Dihydrothiazolo[2,3-b]thiazolium iodides and bromide have been obtained for the first time via cyclization of the corresponding methallyl- 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 has been studied by means of H-1 and C-13{H-1} NMR spectroscopy. Structure of the 3-iodomethyl-3,5-dimethyl-2,3-dihydrothiazolo[2,3-b][1,3]thiazolium heterocyclic system and the cation-anion noncovalent interactions have been analyzed on the basis of quantum-chemical simulations with periodic boundary conditions and characterized by means of X-ray diffraction analysis.
引用
收藏
页码:22 / 30
页数:9
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