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

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, th...

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Bibliographic Details
Published in:Symmetry (Basel) 2021-07, Vol.13 (7), p.1247
Main Authors: Soliman, Saied M., Al-Rasheed, Hessa H., Elsilk, Sobhy E., El-Faham, Ayman
Format: Article
Language:English
Subjects:
Amoxicillin
Ampicillin
anionic bis-pyrazolyl-s-triazine
Antibiotics
antimicrobial activity
Antimicrobial agents
Chloride ions
Coordination compounds
Crystal structure
Crystallization
Fe(III)
Ferric chloride
Fungicides
Hirshfeld
Hydrogen
Hydrogen bonding
hydrolysis
Iron
Ligands
pincer
Single crystals
Unit cell
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Summary: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.
ISSN:2073-8994
2073-8994
DOI:10.3390/sym13071247