Study of 5-Bromo-2-thiophene carboxaldehyde derived novel Schiff base as a biologically active agent as well as X-ray crystallographic study of C-S coupled benzothiazole

Journal of Molecular Structure(2022)

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摘要
•Novel Schiff base S1 via condensation of 5‑bromo-2-thiophene carboxaldehyde and 2-aminothiophenol has been synthesized.•DFT studies were utilized as a tool to predict the feasibility of various reactions as both cyclic and non-cyclic products can be formed.•Compound S1 showed good antioxidant behavior as well as good antimicrobial activity.•Synthesis of C1 through using a cheaper and more efficient route as it is quite an expensive compound.•First crystallographic evidence in the area of benzothiazole moiety.
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关键词
Schiff base,Anti-microbial,Anti-oxidant, DFT,X-ray crystallography
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