Synthesis of the Three Mixed-ligand Metal Complexes and One Organic Salt of 3,5-Dinitrobenzoic Acid for Biopharmaceutical Optimization Through Monoethanolamine: Structures and DFT Studies of Complexes

Ashurov, Jamshid; Ибрагимов, А. А.; Eshimbetov, A. G.

doi:10.1007/s10870-020-00864-z

Cited by 9 publications

(3 citation statements)

References 38 publications

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“…Ibragimov et al synthesized three monometallic complexes consisting of 3,5-DNBA and monoethanolamine (MEA) [ 42 ]. These complexes, with the formula [M(DNBA) 2 (MEA) 2 ] (M = Cu(II), Ni(II), Co(II)), can exist in different spin states.…”

Section: Theoretical Study Of 35- and 24-dinitrobenzoate Metal Complexesmentioning

confidence: 99%

“…Compounds 19 and 20 (Figure 4), syn thesized using 4-NB and methanolamine (MEA), were screened against Fusarium ox ysporum and Aspergillus niger. Monoligands MEA and 4-NB present fungicidal action However, the activity observed in the complexes is higher, being even more elevated fo the mixed ligand binuclear complex 20, having an antimicrobial activity against Aspergil lus niger with a zone of inhibition of 30 mm at a concentration of 0.25 mg/mL [41,42]. From these results, it is possible to conclude that, to achieve a better enhancement in the activity mixed-ligand metal complexes could represent an interesting option because these may provide higher biological activity due to the synergistic activity of both ligands comple mented by the toxicity of metal ions in the pathogen.…”

Section: Antifungal and Antibacterial Activity Of Nba Derivative Comp...mentioning

confidence: 99%

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Biological Activity of Complexes Involving Nitro-Containing Ligands and Crystallographic-Theoretical Description of 3,5-DNB Complexes

Fonseca-López,

Lozano,

Macías

et al. 2024

IJMS

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Drug resistance in infectious diseases developed by bacteria and fungi is an important issue since it is necessary to further develop novel compounds with biological activity that counteract this problem. In addition, new pharmaceutical compounds with lower secondary effects to treat cancer are needed. Coordination compounds appear to be accessible and promising alternatives aiming to overcome these problems. In this review, we summarize the recent literature on coordination compounds based on nitrobenzoic acid (NBA) as a ligand, its derivatives, and other nitro-containing ligands, which are widely employed owing to their versatility. Additionally, an analysis of crystallographic data is presented, unraveling the coordination preferences and the most effective crystallization methods to grow crystals of good quality. This underscores the significance of elucidating crystalline structures and utilizing computational calculations to deepen the comprehension of the electronic properties of coordination complexes.

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Section: Theoretical Study Of 35- and 24-dinitrobenzoate Metal Complexesmentioning

confidence: 99%

Section: Antifungal and Antibacterial Activity Of Nba Derivative Comp...mentioning

confidence: 99%

Biological Activity of Complexes Involving Nitro-Containing Ligands and Crystallographic-Theoretical Description of 3,5-DNB Complexes

Fonseca-López,

Lozano,

Macías

et al. 2024

IJMS

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“…studies (Ibragimov et al, 2021). Input files for the DFT calculations using the ORCA 4.2.0 program package (Neese, 2012) were generated by Avogadro (Hanwell et al, 2012) using the CIF of the title compound.…”

Section: Figurementioning

confidence: 99%

Crystal structure, Hirshfeld surface analysis and DFT studies of tetrakis(μ-3-nitrobenzoato-κ² O ¹:O ^1′)bis[(N,N-dimethylformamide-κO)copper(II)] dimethylformamide disolvate

Ziyaev¹,

Ashurov²,

Eshimbetov³

et al. 2021

Acta Cryst E

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The title compound, [Cu2(C7H4NO4)4(C3H7NO)2]·(C3H7NO)2, is a binuclear copper(II) complex located on an inversion center midway between the two copper(II) cations. The asymmetric unit consists of one CuII cation, two 3-nitrobenzoato ligands, and two dimethylformamide (DMF) molecules, one of which coordinates to the CuII cation and one is a solvate molecule. The carboxylate groups of the ligands bridge two CuII cations with a Cu—Cu distance of 2.6554 (6) Å, completing a distorted octahedral O5Cu coordination environment. The dihedral angles between the carboxylate and the aromatic ring planes of the two independent ligands are different from one another, viz. 5.2 (3) and 23.9 (3)°. The three-dimensional structure is consolidated by weak C—H...O interactions and stabilized by π–π stacking interactions between the aromatic rings. The complex and the free ligand were further characterized by Fourier-transform infrared spectroscopy (FT–IR), and the energies of the frontier molecular orbitals of the complex were determined by DFT calculations at the B3LYP/def2-TZVP level of theory.

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The structure and Hirshfeld surface analysis of the 4-amino 3-nitrobenzoic acid triclinic polymorph

Narmanova,

Turaev,

Kasimov

et al. 2024

Struct Chem

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Synthesis of the Three Mixed-ligand Metal Complexes and One Organic Salt of 3,5-Dinitrobenzoic Acid for Biopharmaceutical Optimization Through Monoethanolamine: Structures and DFT Studies of Complexes

Cited by 9 publications

References 38 publications

Biological Activity of Complexes Involving Nitro-Containing Ligands and Crystallographic-Theoretical Description of 3,5-DNB Complexes

Biological Activity of Complexes Involving Nitro-Containing Ligands and Crystallographic-Theoretical Description of 3,5-DNB Complexes

Crystal structure, Hirshfeld surface analysis and DFT studies of tetrakis(μ-3-nitrobenzoato-κ² O ¹:O ^1′)bis[(N,N-dimethylformamide-κO)copper(II)] dimethylformamide disolvate

The structure and Hirshfeld surface analysis of the 4-amino 3-nitrobenzoic acid triclinic polymorph

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Synthesis of the Three Mixed-ligand Metal Complexes and One Organic Salt of 3,5-Dinitrobenzoic Acid for Biopharmaceutical Optimization Through Monoethanolamine: Structures and DFT Studies of Complexes

Cited by 9 publications

References 38 publications

Biological Activity of Complexes Involving Nitro-Containing Ligands and Crystallographic-Theoretical Description of 3,5-DNB Complexes

Biological Activity of Complexes Involving Nitro-Containing Ligands and Crystallographic-Theoretical Description of 3,5-DNB Complexes

Crystal structure, Hirshfeld surface analysis and DFT studies of tetrakis(μ-3-nitrobenzoato-κ2 O 1:O 1′)bis[(N,N-dimethylformamide-κO)copper(II)] dimethylformamide disolvate

The structure and Hirshfeld surface analysis of the 4-amino 3-nitrobenzoic acid triclinic polymorph

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Crystal structure, Hirshfeld surface analysis and DFT studies of tetrakis(μ-3-nitrobenzoato-κ² O ¹:O ^1′)bis[(N,N-dimethylformamide-κO)copper(II)] dimethylformamide disolvate