Synthesis, characterization, anti-bacterial and anticancer activities of Palladium(II) mixed ligand complexes of 2-mercapto-5-methyl-1,3,4-thiadiazole (HmtzS) and phosphines. Crystal structure of [Pd(mtzS)2(dppf)].H2O.EtOH

Al-Mouqdady, Omar D.H.; Al‐Janabi, Ahmed S. M.; Hatshan, Mohammad Rafe; Al‐Jibori, Subhi A.; Faihan, Ahmed S.; Wagner, Christoph

doi:10.1016/j.molstruc.2022.133219

Cited by 17 publications

(5 citation statements)

References 38 publications

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“…The crystal structures of 2b, 6, 7, and 9 disclosed a conserved geometry of the active 1,3,4-thiadiazole motif (Figure 4a). Indeed, the values of the bond distances and angles for the 1,3,4-thiadiazole are comparable to those of similar compounds [85][86][87]. In 2b, with the exception of the Cl2 all other atoms lie basically on the mean plane of the 1,3,4-thiadiazole moiety (Figure S1a) disclosing a distinct electronic conjugation.…”

Section: Resultssupporting

confidence: 65%

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Functionalization of 2-Mercapto-5-methyl-1,3,4-thiadiazole: 2-(ω-Haloalkylthio) Thiadiazoles vs. Symmetrical Bis-Thiadiazoles

Petkova,

Rusew,

Shivachev

et al. 2024

Molecules

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A study on the functionalisation of 2-mercapto-5-methyl-1,3,4-thiadiazole has been conducted, yielding two series of products: 2-(ω-haloalkylthio)thiadiazoles and symmetrical bis-thiadiazoles, with variable chain lengths. The experimental conditions were optimised for each class of compounds by altering the base used and the reagents’ proportions, leading to the development of separate protocols tailored to their specific reactivity and purification needs. The target halogenide reagents and bis-thiadiazole ligands were obtained either as single products or as mixtures easily separable by chromatography. Characterisation of the products was performed using 1D and 2D NMR spectra in solution, complemented by single crystal X-ray diffraction (XRD) for selected samples, to elucidate their structural properties.

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Section: Resultssupporting

confidence: 65%

Section: Resultssupporting

confidence: 63%

Functionalization of 2-Mercapto-5-methyl-1,3,4-thiadiazole: 2-(ω-Haloalkylthio) Thiadiazoles vs. Symmetrical Bis-Thiadiazoles

Petkova,

Rusew,

Shivachev

et al. 2024

Molecules

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“…The Fourier transform infrared (FT-IR) spectra are done as KBr discs on a Shimadzu FT-IR 8400 spectrophotometer in the 400-4000 cm À1 . The 1 H and 13 CNMR spectra were done using Bruker NMR spectrophotometers. UV-Vis spectra are recorded using Perkin Elmer Lambda 25 spectrophotometer in DMSO from 900 to 200 cm À1 .…”

Section: Experimental Materials and Physical Measurementsmentioning

confidence: 99%

“…Metal–organic complexes, which is an area of chemistry known as coordination chemistry, have various applications in chemistry in the field of catalysis, electronics, photonics, spintronics, solar cells, medicine, and many others [7–11]. Among these are metal–organic complexes containing sulfur and nitrogen ligands that have been studied extensively [12, 13], of which dithiocarbamate ligands are one of the most often employed types of ligands. The unique ability of these ligands to stabilize the anionic metal center through its sulfur and nitrogen atoms Scheme 1, makes it perfect for being used in various applications [14–17].…”

Section: Introductionmentioning

confidence: 99%

Biological and theoretical investigation of cyclohexylamine dithiocarbamate metal (II) complexes

Mahdi

Faihan

Jirjes

et al. 2023

Int J of Quantum Chemistry

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A series of metal (II) complexes of N‐cyclohexyl amine dithiocarbamate ligand are synthesized and characterized by Fourier transform infrared, 1H, 13C NMR, mass spectroscopy, and elemental analysis. The surface structural pattern of the prepared complexes were investigated by scanning electron microscope and X‐ray diffraction techniques. The prepared complexes possessed crystalline characteristic with size average ranging from 16 to 30 nm. Moreover, the biological activity of the synthesized complexes were tested against Klebsiella pneumoniae, Escherichia coli, and Staphylococcus aureus. Among the prepared complexes, copper (II) complex displayed the highest activity. In addition, molecular docking study was performed against bacterial tyrosinase enzyme which showed good binding interactions and is in agreement with the experimental findings. Furthermore, the in silico toxicity studies reveal that the complexes are mostly non‐irritant with mild toxicity. Different quantum parameters including electron affinity, ionization energy, dipole moment, hardness and vibrational frequencies were calculated for the ligand and its complexes using Gaussian 09 program and B3LYP/SDD level of theory.

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“…Growing interest in ligands bearing N and S donor atoms have attracted a lot of attention due to their interesting structural and biological properties [1][2][3][4][5][6][7][8]. Dithiocarbamate, a unique dithiolate ligand, has been increasingly reported in the literature because of its strong chelating capability [2].…”

Section: Introductionmentioning

confidence: 99%

Cd(II) and Pd(II) Mixed Ligand Complexes of Dithiocarbamate and Tertiary Phosphine Ligands—Spectroscopic, Anti-Microbial, and Computational Studies

Abdullah

Behjatmanesh–Ardakani

Faihan

et al. 2023

Molecules

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Mixed ligand complexes of Pd(II) and Cd(II) with N-picolyl-amine dithiocarbamate (PAC-dtc) as primary ligand and tertiary phosphine ligand as secondary ligands have been synthesized and characterized via elemental analysis, molar conductance, NMR (1H and 31P), and IR techniques. The PAC-dtc ligand displayed in a monodentate fashion via sulfur atom whereas diphosphine ligands coordinated as a bidentate mode to afford a square planner around the Pd(II) ion or tetrahedral around the Cd(II) ion. Except for complexes [Cd(PAC-dtc)2(dppe)] and [Cd(PAC-dtc)2(PPh3)2], the prepared complexes showed significant antimicrobial activity when evaluated against Staphylococcus aureus, Pseudomonas aeruginosa, Candida albicans and Aspergillus niger. Moreover, DFT calculations were performed to investigate three complexes {[Pd(PAC-dtc)2(dppe)](1), [Cd(PAC-dtc)2(dppe)](2), [Cd(PAC-dtc)2(PPh3)2](7)}, and their quantum parameters were evaluated using the Gaussian 09 program at the B3LYP/Lanl2dz theoretical level. The optimized structures of the three complexes were square planar and tetrahedral geometry. The calculated bond lengths and bond angles showed a slightly distorted tetrahedral geometry for [Cd(PAC-dtc)2(dppe)](2) compared to [Cd(PAC-dtc)2(PPh3)2](7) due to the ring constrain in the dppe ligand. Moreover, the [Pd(PAC-dtc)2(dppe)](1) complex showed higher stability compared to Cd(2) and Cd(7) complexes which can be attributed to the higher back-donation of Pd(1) complex.

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Synthesis, characterization, anti-bacterial and anticancer activities of Palladium(II) mixed ligand complexes of 2-mercapto-5-methyl-1,3,4-thiadiazole (HmtzS) and phosphines. Crystal structure of [Pd(mtzS)2(dppf)].H2O.EtOH

Cited by 17 publications

References 38 publications

Functionalization of 2-Mercapto-5-methyl-1,3,4-thiadiazole: 2-(ω-Haloalkylthio) Thiadiazoles vs. Symmetrical Bis-Thiadiazoles

Functionalization of 2-Mercapto-5-methyl-1,3,4-thiadiazole: 2-(ω-Haloalkylthio) Thiadiazoles vs. Symmetrical Bis-Thiadiazoles

Biological and theoretical investigation of cyclohexylamine dithiocarbamate metal (II) complexes

Cd(II) and Pd(II) Mixed Ligand Complexes of Dithiocarbamate and Tertiary Phosphine Ligands—Spectroscopic, Anti-Microbial, and Computational Studies

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