Crystal Structure of 2,2′-(((2,2-Dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(4-methoxyphenol)palladium(II)

Ahmad, Shahrul Nizam; Bahron, Hadariah; Tajuddin, Amalina Mohd; Yusof, M. Sukeri M

doi:10.2116/xraystruct.33.73

Cited by 4 publications

(5 citation statements)

References 4 publications

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“…On the other hand, the N1-C7 and N2-C11 bond lengths are slightly longer than that in the ligand. Other bond lengths and angles are in normal ranges and comparable with those reported by Ahmad et al, (2017) [59].…”

Section: Plos Onesupporting

confidence: 87%

Synthesis, characterization, quantum chemical calculations and anticancer activity of a Schiff base NNOO chelate ligand and Pd(II) complex

et al. 2020

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This paper reports the synthesis, characterization, anticancer screening and quantum chemical calculation of a tetradentate Schiff base 2,2'-((1E,1'E)-((2,2-dimethylpropane-1,3-diyl)bis-(azanylylidene))bis(methanylylidene))bis(4-fluorophenol) (L2F) and its Pd (II) complex (PdL2F). The compounds were characterized via UV-Visible, NMR, IR spectroscopy and single crystal x-ray diffraction. Density Functional Theory (DFT) and time-dependent DFT calculations in gas and solvent phases were carried out using B3LYP, B3P86, CAM-B3LYP and PBE0 hybrid functionals combined with LanL2DZ basis set. Complexation of L2F to form PdL2F was observed to cause a bathochromic shift of the maximum absorption bands of nπ* from 327 to 410 nm; an upfield shift for δ (HC = N) from 8.30 to 7.96 ppm and a decreased wavenumber for ν(C = N) from 1637 to 1616 cm-1. Overall, the UV-Vis, NMR and IR spectral data are relatively well reproduced through DFT and TD-DFT methods. L2F and PdL2F showed IC 50 of 90.00 and 4.10 μg/mL, respectively, against human colorectal carcinoma (HCT116) cell lines, signifying increased anticancer activity upon complexation with Pd (II).

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Section: Plos Onesupporting

confidence: 87%

Synthesis, characterization, quantum chemical calculations and anticancer activity of a Schiff base NNOO chelate ligand and Pd(II) complex

et al. 2020

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“…The Pd1–N1, Pd1–N2, Pd1–O1, and Pd1–O2 bond lengths are 1.998(6), 2.000(8), 1.977(7), and 1.987(5), respectively. The bond angle and bond length are in close agreement with the previously reported complexes. , …”

Section: Resultsmentioning

confidence: 98%

“…The bond angle and bond length are in close agreement with the previously reported complexes. 16,17 Meanwhile, in the coordination sphere of [Ni(AD1Me)], Ni−N and Ni−O bond lengths range from 1.869(5) to 1.884(4) Å and 1.830(4) to 1.844(4) Å, respectively, whereas bond angles range from 82.03 (16) 18 The bond lengths and bond angles are in good agreement with the previously reported Ni(II) complexes with the ONNO Schiff base ligand. 19 In addition, the bond lengths of Ni−O and Ni− N are slightly shorter than the Pd−O and Pd−N bonds, reflecting the greater bond strength of the former.…”

Section: Resultsmentioning

confidence: 99%

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Synthesis, Structural Characterization, Hirshfeld Surface Analysis, and Antibacterial Study of Pd(II) and Ni(II) Schiff Base Complexes Derived from Aliphatic Diamine

et al. 2022

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A Schiff base bearing two methyl substituents, namely, 6,6′-((1E,1′E)-((2,2-dimethylpropane-1,3-diyl) bis(azanylylidene)) bis(methanylylidene)) bis(2-methylphenol) [H2AD1Me] was synthesized and characterized through physicochemical and spectroscopic analyses. Then, the Schiff base was complexed with Pd(II) and Ni(II) to form [Pd(AD1Me)] and [Ni(AD1Me)], respectively. Both metal complexes were successfully obtained and characterized through several analyses, viz., melting point, elemental analysis, molar conductivity, magnetic susceptibility, FTIR, 1H NMR, UV–vis, and single crystal X-ray diffraction. A quantitative analysis of the intermolecular interactions in the crystal structures has been performed using Hirshfeld surface analysis. Both metal complexes were crystallized in a monoclinic crystal system with the space group of P21/c. Additionally, the deprotonated phenolic oxygen atom (O1/O2) and azomethine nitrogen atom (N1/N2) of the ligand chelate the Pd(II) and Ni(II) ions, forming a slightly distorted square-planar complex containing three six-membered rings encircling the metal core with dsp2 hybridization. The shift of ν(CN) to a higher frequency in FTIR by 26–28 cm–1 indicated that the complexation to Pd(II) and Ni(II) through the azomethine N was established. It was further supported through the shifting of the azomethine proton signal to higher or lower chemical shifts with Δδ = 0.43–1.15 ppm in 1H NMR. In addition, the shifting of the n−π*(CN) band in UV–vis spectra with Δλ = 24–40 nm indicated the involvement of azomethine nitrogen in the complexation. All the compounds showed no significant antibacterial activity against three bacterial strains, namely, Staphylococcus aureus subsp. aureus Rosenbach (ATCC 6538), Streptococcus mutans Clarke (ATCC 700,610), and Proteus vulgaris (ATCC 6380), as the percent growth inhibition calculated was less than 90%.

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“…The infrared data obtained are nearly similar based on a previous study reported. 8 The NMR spectrum was obtained as a CDCl3 solution on Jeol 400 MHz spectrometer. The crystal and structure-refinement data are summarized in Table 1 and selected bond distances and angles in Table 2.…”

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Crystal Structure of Bis(2-methoxy-6-((<i>Z</i>)-(<i>p</i>-tolylimino)methyl)phenoxy)palladium

Kassim

Kahar

Yamin

et al. 2019

X-ray Structure Analysis Online

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Crystal Structure of 2,2′-(((2,2-Dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(4-methoxyphenol)palladium(II)

Cited by 4 publications

References 4 publications

Synthesis, characterization, quantum chemical calculations and anticancer activity of a Schiff base NNOO chelate ligand and Pd(II) complex

Synthesis, characterization, quantum chemical calculations and anticancer activity of a Schiff base NNOO chelate ligand and Pd(II) complex

Synthesis, Structural Characterization, Hirshfeld Surface Analysis, and Antibacterial Study of Pd(II) and Ni(II) Schiff Base Complexes Derived from Aliphatic Diamine

Crystal Structure of Bis(2-methoxy-6-((<i>Z</i>)-(<i>p</i>-tolylimino)methyl)phenoxy)palladium

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