Exploring the effect of substituents on the supramolecular assemblies built by non-covalent interactions in three closely related 1,3,4-oxadiazole-2(3H)-thione derivatives: An evaluation of antimicrobial and anti-proliferative activities

Lamya H. Al-Wahaibi, Vignesh Krishnan,Hanan M. Hassan,Mohammed S.M. Abdelbaky,Santiago Garcia-Granda,Ali A. El-Emam,M. Judith Percino,Subbiah Thamotharan

Journal of Molecular Structure（2024）

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摘要

•Crystal structures of three 1,3,4-oxadiazole-2(3H)-thione N-Mannich bases were elucidated.•Hirshfeld surface and CLP-PIXEL energy analyses.•Unconventional lone-pair-π contacts were observed.•Cl⋅⋅⋅Cl halogen and S⋅⋅⋅N chalcogen bonds were observed.•Evaluation of antimicrobial and anti-proliferative activities.

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关键词

1,3,4-triazole,Hirshfeld surface,CLP-pixel,Weak hydrogen bonds,C–Cl···Cl–C halogen bond,C–S···N chalcogen bond,Anti-proliferative activity

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