Cd(II) and Ni(II) complexes from aroyl hydrazones: Unravelling the intermolecular interactions and electronic, crystal structures through experimental and theoretical studies

Sreejith, S. S.; Nair, Anju; Smolenski, Victoria A.; Jasinski, Jerry P.; Kurup, M.R. Prathapachandra

doi:10.1016/j.ica.2017.09.031

Cited by 23 publications

(8 citation statements)

References 58 publications

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“…Asphericity is a measure of the anisotropy of objects and appreciably high values of asphericity (0.340 for complex 1 and 0.282 for complex 2 ), portraying a marked directionality in the crystal array. [ 43 ]…”

Section: Resultsmentioning

confidence: 99%

Novel dioxidomolybdenum complexes containing ONO chelators: Synthesis, physicochemical properties, crystal structures, Hirshfeld surface analysis, DNA binding/cleavage studies, docking, and in vitro cytotoxicity

Vineetha

Joy

Krishna

et al. 2021

Applied Organom Chemis

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A series of dioxidomolybdenum (VI) complexes, [MoO2(ESB)H2O]·DMF (1), [MoO2(ESB)MeOH] (2), and [MoO2(ESB)H2O]·EtOH (3), containing 3‐ethoxysalicylaldehyde benzoylhydrazone have been synthesized and analysed using various spectral and analytical techniques such as elemental analyses, IR spectra, UV–Vis absorption spectra, X‐ray crystallography, and Hirshfeld surface analysis. Based on the elemental and spectral analysis, six‐coordinate geometry was assigned for these complexes wherein the hydrazone ligand binds to the metal centre in its dianionic enolate form through ONO donor set. Distorted octahedral geometry of complexes 1 and 2 was evidenced from their crystal structures, which is typical for many cis‐dioxido complexes of MoVI. The proligand and the new complexes were examined for their DNA binding, DNA cleavage, and cytotoxic properties. The DNA binding efficiency of the compounds in terms of their binding constants (Kb) of the metal complexes was observed to be 1.3727 × 105 M−1, 3.0194 × 104 M−1, and 1.13206 × 104 M−1 for [MoO2(ESB)H2O]·DMF (1), [MoO2(ESB)MeOH] (2), and [MoO2(ESB)H2O]·EtOH (3), respectively, indicating that these complexes strongly bind to DNA. To determine the binding interactions of the complexes with DNA and protein (BSA), molecular docking studies were carried out. Gel electrophoresis study reveals the fact that the complexes cleaved supercoiled pUC‐18 DNA to nicked form (Form II) in the presence and absence of H2O2. The complexes showed significantly high cytotoxicity against MCF‐7 (breast cancer cells).

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Section: Resultsmentioning

confidence: 99%

Novel dioxidomolybdenum complexes containing ONO chelators: Synthesis, physicochemical properties, crystal structures, Hirshfeld surface analysis, DNA binding/cleavage studies, docking, and in vitro cytotoxicity

Vineetha

Joy

Krishna

et al. 2021

Applied Organom Chemis

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“…IR data showeddecreasing of their stretching frequencies on coordination (ῡ C = O 1719 → 1669), (ῡ C = N1616 → 1599) (Tamayo et al, 2017). Based on the magnetic susceptibility results and spectral data obtained, the expected structure of the complex is square planar formed by the combination of the metal ion with two ligand molecules and it is a diamagnetic (Sreejith, Nair, Smolenski, Jasinski, & Prathapachandra Kurup, 2018).…”

Section: Description Of Complexes Structuresmentioning

confidence: 89%

Synthesis, molecular docking and computational studies of novel hydrazone complexes

Salah

Kandil

El-Nasser

2019

Journal of Radiation Research and Applied Sciences

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In this study, a hydrazone ligand complexes based on p-anisidine and acetylacetone derivatives with transition metals like Ni, Cu, Fe, and Zr were prepared. The structure of the prepared compounds was confirmed using Nuclear magnetic resonance (1 H-NMR and 13 C-NMR), Distortionless enhancement by polarization transfer (DEPT), heteronuclear single quantum coherence (HSQC-NMR), Correlated Spectroscopy (COSY-NMR), Fourier-transform infrared spectroscopy (FT-IR) and Electrospray ionization mass spectrometry (ESI-MS). The x-ray single crystal of the ligand was studied and the results showed that an intramolecular N-H. .. .O = C hydrogen bond (1.87Å) exists that stabilizes the geometrical structure of the ligand. Also, the magnetic properties for the prepared complexes were studied using Gouy's method of susceptibility measurement. In addition, there in silico docking and In vitro antibacterial activities were investigated and the results showed that Fe complex has the highest antimicrobial activity. The expected structures and conformers for the prepared ligands and complexes were examined and fully optimized using the level B3LYP/6-31G*.

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“…The metal complexes also show a non-ligand bands in the (549-454) and (462-411) cm _1 , ranges are tentatively assigned to ‫ט‬ (M-O) and ‫ט‬ (M-N), respectively (Singh et al, 2013). A broad band at ca.3400 cm -1 is observed in the spectra of the complexes (1,3,6,7, and 11) which indicate the presence of lattice water (Sreejith et al, 2018). Since vibrational modes such as wagging, twisting and rocking activated by coordination to the metal have not been found in the expected ranges, it shows that water molecules are not coordinated (El-Taras et al, 2012).…”

Section: Infrared Spectramentioning

confidence: 95%

New Tridentate Hydrazone Metal Complexes Derived from 2-Hydroxy-4-Methoxyacetophenone and some Acid Hydrazides: Synthesis, Characterization and Antibacterial Activity Evaluation

Omer¹,

Al-Daher²

2019

RJS

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A new series of complexes of Co(II), Ni(II), Cu(II), and Zn(II) with three hydrazones ligands(L) derived from 2-hydroxy-4-methoxy acetophenone (Paeonol) and 4-methylbenzoylhydrazide (AMBH), acetyl hydrazine (AAH), or picolinoyl hydrazine (APH) with the general formula [M(L-H) 2 ].nH 2 O (n= 0, 1, or 2) where L-H = deprotonated AMBH, AAH or APH, have been prepared and characterized by elemental analyses, spectral (FT-IR, UV-visible) as well as molar conductance and magnetic measurements. The data revealed that the ligands AMBH and AAH act as mono-negative ONO chelates coordinated through the carbonyl group and the phenoxy oxygen atoms and azomethine nitrogen atom, while APH acts as NNO chelate, coordinated through the pyridine and azomethine nitrogen atoms and the phenoxy oxygen atom. On the basis of electronic spectral and magnetic moment data, an octahedral geometry is suggested for all complexes. Also, the ligands and some of their complexes were screened for antibacterial activities.

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Cd(II) and Ni(II) complexes from aroyl hydrazones: Unravelling the intermolecular interactions and electronic, crystal structures through experimental and theoretical studies

Cited by 23 publications

References 58 publications

Novel dioxidomolybdenum complexes containing ONO chelators: Synthesis, physicochemical properties, crystal structures, Hirshfeld surface analysis, DNA binding/cleavage studies, docking, and in vitro cytotoxicity

Novel dioxidomolybdenum complexes containing ONO chelators: Synthesis, physicochemical properties, crystal structures, Hirshfeld surface analysis, DNA binding/cleavage studies, docking, and in vitro cytotoxicity

Synthesis, molecular docking and computational studies of novel hydrazone complexes

New Tridentate Hydrazone Metal Complexes Derived from 2-Hydroxy-4-Methoxyacetophenone and some Acid Hydrazides: Synthesis, Characterization and Antibacterial Activity Evaluation

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