Add time:08/28/2019         Source:sciencedirect.com

The 4,5-dihydro-1,3,4-oxadiazole-2-thiones derivatives, 2-phenyl-1-(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)ethenyl]benzamide(Ic), 4-methyl-N-[(Z)-1-(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2-(thiophen-2-yl)ethenyl]benzamide-N,N-dimethylform amide (1/1) (IIc) and 1-(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2-(thiophen-2-yl) ethenyl] acetamide-N, N-dimethylformamide (1/1) (IIIc) were synthesized, characterized by spectral studies (IR, 1H NMR and 13C NMR) and finally the three dimensional molecular structure was confirmed by single crystal X-ray diffraction method. In all the crystal structures (Ic, IIc and IIIc), intermolecular hydrogen bonds of the type NH…O and CH…O are observed. The N3H3…S1 (Ic and IIc) intermolecular hydrogen bond forms ring motifs of the type R22(14). The intercontacts were quantified using Hirshfeld surfaces computational method. The H…H intercontact has major contribution towards the Hirshfeld surfaces in all compounds (Ic, IIc and IIIc) when compared to other intercontacts. In addition, the in vitro biological activities (antioxidant and antibacterial) were performed against Staphylococcus aureus. The compounds Ic and IIc showed good antibacterial activity, whereas IIc and IIIc showed good potent antioxidant activity.

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