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Citation: Hu WANG, Qing-Li LOU, Chun-Zhi HAO, Wen-Xiang ZHU, Yan YANG, Wei ZHANG, Dan MOU, Xia ZHANG, Chao-Chuang YIN. N4O2-Donor Macrocyclic Schiff Base Ni(Ⅱ) Complex: Synthesis, Crystal Structure, DFT Study and Urease Inhibition Study[J]. Chinese Journal of Inorganic Chemistry, ;2022, 38(4): 765-773. doi: 10.11862/CJIC.2022.072 shu

N4O2-Donor Macrocyclic Schiff Base Ni(Ⅱ) Complex: Synthesis, Crystal Structure, DFT Study and Urease Inhibition Study

  • 1.

    School of Chemistry and Materials Engineering, Liupanshui Normal University, Liupanshui, Guizhou 553004, China

  • 2.

    Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, College of Chemistry and Chemical Engineering, Ocean University of China, Qingdao, Shandong 266000, China

Figures(8)

  • A Ni(Ⅱ) complex, [Ni(C40H44N4O8)]Cl2·4CH3OH, with a 28-membered macrocyclic Schiff base ligand of an N4O2 donor set has been prepared by the [2+2] reaction of 1, 2-bis(2-methoxy -6-formylphenoxy)ethane with ethylenediamine in a 1∶1 stoichiometric ratio in the presence of Ni(Ⅱ) ion employing the template strategy. The complex was characterized by elemental analysis, infrared spectroscopy, powder X -ray diffraction, single-crystal X - ray diffraction, and density functional theory quantification calculations. The structural analysis demonstrates that Ni(Ⅱ) ion is six -coordinate by four N atoms from C=N groups, two O atoms from ether groups, forming a distorted octahedral geometry. Urease inhibitory activity and molecular docking simulation studies show that the Ni(Ⅱ) complex proved to be a good candidate for the inhibition of jack bean urease.
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