MnII, ZnII and CdII Dinuclear Complexes Based on Mixed Benzoic Acid and Metronidazole Benzoate: Syntheses, Crystal structures, Spectroscopic, Hirshfeld surface analysis, and Molecular modelling of their potential activity against Porphyromas gingivalis

Journal of Molecular Structure(2022)

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摘要
•The reaction of Mn(II), Zn(II) and Cd(II) salts with metronidazole benzoate plus benzoic acid leads to the synthesis of three novel compounds.•First crystal structures of metronidazole benzoate-based complexes with dimeric and paddle-wheel in nature.•The complexes assumed different geometry including distorted square pyramid, distorted tetrahedral as well as distorted octahedral.•Molecular docking was conducted on the complexes and their ligands.•Hirshfeld surface analysis were used to examine the intermolecular contacts.
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关键词
Benzoic acid,Metronidazole benzoate,X-ray structures,Dinuclear complexes,Docking studies
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