@article{Rizk_Awheda_Smida_2019, title={Synthesis and DFT Study of Newly Schiff Base and Fused Heterocyclic Compounds as Antibacterial Agent}, volume={16}, url={https://rajpub.com/index.php/jac/article/view/8499}, DOI={10.24297/jac.v16i0.8499}, abstractNote={<p>Treatment of 2,3-di-(4-chlorophenyl) oxirane-2,3-dicarbonitriles(1) with nitrogen nucleophiles, e.g. N2H4, NH2OH afforded pyrazole 2, 1.2oxazole 3 derivatives respectively The 3-amino pyrazole-4-one derivatives 2 can be used as a key starting materials to synthesize some important Schiff base 4 and fused heterocyclic compounds e.g. Imidazolo-[4,5-c]pyrazole 5, Pyrazolo[3,4-e]1,2,4-triazine 6, pyrazol[1,2-a] 1,3,5-triazine 7, 8 and 9. The electromeric effect of the halogen atom in the aryl moieties can be controlled upon the rate of reaction and the yield of the product. The structures of synthesized new compounds were characterized by spectral data and screened for their antimicrobial activities against various bacteria and fungi strains. The heterocyclic compounds 7, 8 and 9 that contained bridgehead nitrogen gave an excellent result. </p>}, journal={JOURNAL OF ADVANCES IN CHEMISTRY}, author={Rizk, Sameh and Awheda, Ismail M. and Smida, Fathi A.}, year={2019}, month={Nov.}, pages={5395–5403} }