Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1145, Issue -, Pages 244-253Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molstruc.2017.05.040
Keywords
Pyrazole; Hydrazino-s-triazine; Cyanuric chloride; X-ray crystallography; DFT/B3LYP; Antibacterial activities
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Funding
- International Scientific Partnership Program (ISPP) at King Saud University (ISPP) (Saudi Arabia) [0061]
- National Research Foundation
- University of KwaZulu-Natal
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A new series of pyrazole-containing s-triazine derivatives were synthesized by reaction of the corresponding s-triazinyl hydrazine derivatives with acetylacetone in the presence of HClO4 or DMF/TEA. The former method allowed the preparation of the target products with higher yields. All compounds were fully characterized. X-ray single crystal diffraction for two representative compounds (4-(4,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl)morpholine and N-benzyl-4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine) was studied and the molecular structures were optimized using the DFT/B3LYP method. The structures were found to be in agreement with X-ray structures. The antimicrobial and antifungal activity of the prepared compounds were tested against the growth of several microorganisms. (C) 2017 Elsevier B.V. All rights reserved.
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