Abstract
Reaction of 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (MBPT) pincer ligand with FeCl3 in acidic medium (1:1 v/v) afforded the [Fe(BPT)Cl2(CH3OH)] complex of the hydrolyzed monobasic ligand: 4,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2(1H)-one (HBPT). In this complex, the Fe(III) ion is hexacoordinated with one anionic pincer ligand unit (BPT−1), two chloride ions, and one coordinated methanol molecule. It crystallized in the monoclinic crystal system and centrosymmetric P21/c space group with Z = 2 and unit cell parameters of a = 7.309(2) Å, b = 25.461(8) Å, c = 9.918(3) Å and β = 102.646(7)°. The structure of this complex is stabilized by C–H…Cl intramolecular hydrogen bonding interactions with donor acceptor distances ranging from 3.577(3)–3.609(3) Å while its supramolecular structure is controlled by intermolecular O–H…O, O–H…N, and C–H…Cl hydrogen bonding interactions. Hirshfeld analysis of molecular packing indicates that the percentages of the Cl…H, C…O, O…H, C…C, H…C, and N…H contacts are 21.1, 1.7, 10.2, 2.1, 8.6, and 10.4%, respectively. The nature and relative strength of the different coordination interactions in the [Fe(BPT)Cl2(CH3OH)] complex are discussed based on atoms in molecules theory. Antimicrobial evaluations indicated that the [Fe(BPT)Cl2(CH3OH)] complex showed moderate antibacterial and antifungal activities compared to amoxicillin and ampicillin antibiotics as standard drugs.
Highlights
Iron is considered as a readily available and cheap element with little hazardous effects on the environment
The mean plane passing through the triazine ring created angles of 2.96 and 7.24◦ with the pyrazolyl moieties N4C8C7C6N3 and C3C2C1N1N2, respectively
The blue and white regions were related to intermolecular contacts having longer and equal interaction distances than the van der Waals radii (vdWs) radii sum of the interacting atoms, respectively
Summary
Iron is considered as a readily available and cheap element with little hazardous effects on the environment. High iron levels in the body can catalyze the generation of harmful free radicals [8,9] In this regard, powerful chelators can be used to control this risk by controlling iron reactivity. 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (MBPT, Figure 1) pincer ligand is a powerful nitrogen tridentate chelator that can form metal complexes by the reaction with a diversity of metal salts [14,15,16]. The self-assembly of this functional ligand with metal salts such as Ni(II), Mn(II), Co(II), Zn(II) and Cd(II) comprising different anions (Cl−, NO3−, ClO4−) has afforded a variety of mononuclear homo and heteroleptic metal pincer ligand is a powerful nitrogen tridentate chelator that can form metal complexes by the reaction with a diversity of metal salts [14,15,16].
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