A Novel Centrosymmetric Fe(III) Complex with Anionic <i>Bis</i>-pyrazolyl-<i>s</i>-triazine Ligand; Synthesis, Structural Investigations and Antimicrobial Evaluations

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.

Keywords

• pincer
• Fe(III)
• hydrolysis
• Hirshfeld
• antimicrobial activity
• anionic bis-pyrazolyl-<i>s</i>-triazine