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Effect of anion structure on the network of hydrogen bonds formed between counter ions in salts composed of triethylamine and derivatives of 2,1-benzothiazine 2,2-dioxide and 1,2-benzoxathiine 2,2-dioxide

Journal of Molecular Structure(2023)

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摘要
•Four triethylammonium salts essential for pharmacology were investigated.•The crystal structure, chemical environment, and interactions were studied.•The proton tautomerism and stereoisomerism were studied.•The effect of counter ions on the hydrogen bond network was analyzed.•The resonance effect spreading from the enoxide to the SO2 group is observed.
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关键词
Triethylammonium salts,2,1-benzothiazine 2,2-dioxide and 1,2-benzoxathiine 2,2-dioxide derivatives,X-ray crystallography,FTIR and 1H and 13C NMR techniques,DFT,QTAIM
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