Syntheses and Structural Investigations of Penta-Coordinated Co(II) Complexes with Bis-Pyrazolo-S-Triazine Pincer Ligands, and Evaluation of Their Antimicrobial and Antioxidant Activities
Autor: | Raghdaa A. Massoud, Hessa H. Al-Rasheed, Ayman El-Faham, Saied M. Soliman |
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Jazyk: | angličtina |
Rok vydání: | 2021 |
Předmět: |
Models
Molecular Coordination number Substituent Pharmaceutical Science antioxidant activity Organic chemistry Microbial Sensitivity Tests Pyrazole Crystallography X-Ray Ligands Medicinal chemistry Article Antioxidants Analytical Chemistry chemistry.chemical_compound QD241-441 Coordination Complexes pincer Drug Discovery Chelation Physical and Theoretical Chemistry Triazine antimicrobial activity Ligand Triazines Cobalt penta-coordinated Co(II) Square pyramidal molecular geometry Pincer movement Anti-Bacterial Agents Hirshfeld chemistry Chemistry (miscellaneous) Molecular Medicine Pyrazoles |
Zdroj: | Molecules, Vol 26, Iss 3633, p 3633 (2021) Molecules Volume 26 Issue 12 |
ISSN: | 1420-3049 |
Popis: | Two penta-coordinated [Co(MorphBPT)Cl2] 1 and [Co(PipBPT)Cl2] 2 complexes with the bis-pyrazolyl-s-triazine pincer ligands MorphBPT and PipBPT were synthesized and characterized. Both MorphBPT and PipBPT act as NNN-tridentate pincer chelates coordinating the Co(II) center with one short Co-N(s-triazine) and two longer Co-N(pyrazole) bonds. The coordination number of Co(II) is five in both complexes, and the geometry around Co(II) ion is a distorted square pyramidal in 1, while 2 shows more distortion. In both complexes, the packing is dominated by Cl…H, C-H…π, and Cl…C (anion-π stacking) interactions in addition to O…H interactions, which are found only in 1. The UV-Vis spectral band at 564 nm was assigned to metal–ligand charge transfer transitions based on TD-DFT calculations. Complexes 1 and 2 showed higher antimicrobial activity compared to the respective free ligand MorphBPT and PipBPT, which were not active. MIC values indicated that 2 had better activity against S. aureus, B. subtilis, and P. vulgaris than 1. DPPH free radical scavenging assay revealed that all the studied compounds showed weak to moderate antioxidant activity where the nature of the substituent at the s-triazine core has a significant impact on the antioxidant activity. |
Databáze: | OpenAIRE |
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