Synthesis of Co(II), Mn(II), and Ni(II) complexes with 4-(4,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl)morpholine; X-ray structure, Hirshfeld, AIM, and biological studies
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引用次数: 0
Abstract
Three transition metal complexes of s-triazine ligand (MorphBPT) were synthesized, characterized, and their supramolecular structures are explored. Their structures are confirmed to be [Co(MorphBPT)2](ClO4)2 (1), [Mn(MorphBPT)2](ClO4)2 (2), and [Ni(MorphBPT)(H2O)3]Cl2·2H2O (3) using single crystal X-ray diffraction. In all cases, the MorphBPT is a tridentate N-chelator. Hence, the metal ions have hexa-coordination environment in all complexes. In the two homoleptic complexes 1 and 2, the O···H, C···H, and C···O contacts, in addition to some short N···O and H···H contacts detected only in 2, are the most important. For 3, the Cl···H, O···H, and C···H contacts are the most significant. Enrichment ratio was used to detect the atom pairs which have the highest probability to form non-covalent interactions. The nature of MN and MO coordination interactions is analyzed with the aid of AIM calculations. Also, the interactions with the ligand moieties lowers the charge of Co(II), Ni(II), and Mn(II) to 0.8411, 0.9332, and 0.8308 e, respectively. The three complexes 1, 2, and 3 exhibited antibacterial activity exceeds the reference drug gentamicin against P. vulgaris where the diameter of the inhibition zones (DIZs) are determined to be 28, 29, 27, and 25 mm, respectively. In addition, 1 and 2 have antifungal activity better (DIZ = 18 mm) and equal (DIZ = 17 mm) compared to ketoconazole against A. fumigatus, respectively. The Mn(II) complex 2 is the most active against MCF-7 (75.3 ± 3.1 μM) and A-549 (40.2 ± 2.7 μM) cancerous cell lines.
期刊介绍:
Inorganica Chimica Acta is an established international forum for all aspects of advanced Inorganic Chemistry. Original papers of high scientific level and interest are published in the form of Articles and Reviews.
Topics covered include:
• chemistry of the main group elements and the d- and f-block metals, including the synthesis, characterization and reactivity of coordination, organometallic, biomimetic, supramolecular coordination compounds, including associated computational studies;
• synthesis, physico-chemical properties, applications of molecule-based nano-scaled clusters and nanomaterials designed using the principles of coordination chemistry, as well as coordination polymers (CPs), metal-organic frameworks (MOFs), metal-organic polyhedra (MPOs);
• reaction mechanisms and physico-chemical investigations computational studies of metalloenzymes and their models;
• applications of inorganic compounds, metallodrugs and molecule-based materials.
Papers composed primarily of structural reports will typically not be considered for publication.