Structural and computational analysis of a nickel(II) complex with S-benzyldithiocarbazate Schiff base ligand: synthesis, x-ray crystallography, MEP, HOMO-LUMO, Hirshfeld surface analysis, and molecular docking

A new compound, benzyl N-[1-(thiophen-2-yl)propylidene]hydrazinecarbodithioate (LH), and its nickel(II) complex (NiL2), were synthesized and structurally identified. Single crystal X-ray diffraction analyses determined that both the LH ligand and the NiL2 complex crystallized in the monoclinic syste...

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Main Authors:	Mohamed Tahir, Mohamed Ibrahim, Osman, Uwaisulqarni M., Noor Hassim, Muhamad Fairus, Zaini Safayi, Nik Nur Syafiqah, Arshad, Suhana, Mohd Nizar, Siti Nabilla Aliya, Abdul Razak, Fazira Ilyana, Sapari, Suhaila
Format:	Article
Language:	en
Published:	Elsevier B.V. 2025
Online Access:	http://psasir.upm.edu.my/id/eprint/118687/1/118687.pdf http://psasir.upm.edu.my/id/eprint/118687/ https://linkinghub.elsevier.com/retrieve/pii/S0022286024022701
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