{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["7(47)"],"submitter":["Nasaruddin NH"],"pubmed_abstract":["A Schiff base bearing two methyl substituents, namely, 6,6'-((1<i>E</i>,1'<i>E</i>)-((2,2-dimethylpropane-1,3-diyl) bis(azanylylidene)) bis(methanylylidene)) bis(2-methylphenol) [H<sub>2</sub>AD1Me] 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, <i>viz</i>., melting point, elemental analysis, molar conductivity, magnetic susceptibility, FTIR, <sup>1</sup>H 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 <i>P</i>2<sub>1</sub>/<i>c</i>. 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 dsp<sup>2</sup> hybridization. The shift of ν(C=N) to a higher frequency in FTIR by 26-28 cm<sup>-1</sup> 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 <sup>1</sup>H 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, <i>Staphylococcus aureus</i> subsp. <i>aureus</i> Rosenbach (ATCC 6538), <i>Streptococcus mutans</i> Clarke (ATCC 700,610), and <i>Proteus vulgaris</i> (ATCC 6380), as the percent growth inhibition calculated was less than 90%."],"journal":["ACS omega"],"pagination":["42809-42818"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9713794"],"repository":["biostudies-literature"],"pubmed_title":["Synthesis, Structural Characterization, Hirshfeld Surface Analysis, and Antibacterial Study of Pd(II) and Ni(II) Schiff Base Complexes Derived from Aliphatic Diamine."],"pmcid":["PMC9713794"],"pubmed_authors":["Zakaria NA","Mohamad Nazam SS","Sirat SS","Rahman NMMA","Mohd Yusof NS","Ahmad SN","Tan KW","Bahron H","Nasaruddin NH"],"additional_accession":[]},"is_claimable":false,"name":"Synthesis, Structural Characterization, Hirshfeld Surface Analysis, and Antibacterial Study of Pd(II) and Ni(II) Schiff Base Complexes Derived from Aliphatic Diamine.","description":"A Schiff base bearing two methyl substituents, namely, 6,6'-((1<i>E</i>,1'<i>E</i>)-((2,2-dimethylpropane-1,3-diyl) bis(azanylylidene)) bis(methanylylidene)) bis(2-methylphenol) [H<sub>2</sub>AD1Me] 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, <i>viz</i>., melting point, elemental analysis, molar conductivity, magnetic susceptibility, FTIR, <sup>1</sup>H 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 <i>P</i>2<sub>1</sub>/<i>c</i>. 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 dsp<sup>2</sup> hybridization. The shift of ν(C=N) to a higher frequency in FTIR by 26-28 cm<sup>-1</sup> 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 <sup>1</sup>H 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, <i>Staphylococcus aureus</i> subsp. <i>aureus</i> Rosenbach (ATCC 6538), <i>Streptococcus mutans</i> Clarke (ATCC 700,610), and <i>Proteus vulgaris</i> (ATCC 6380), as the percent growth inhibition calculated was less than 90%.","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Nov","modification":"2025-04-21T16:41:32.456Z","creation":"2025-04-21T16:41:32.456Z"},"accession":"S-EPMC9713794","cross_references":{"pubmed":["36467908"],"doi":["10.1021/acsomega.2c04688"]}}