Syntheses, crystal structures and Hirshfeld surface analysis of (Z)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel ZnII complex

A novel zero-dimensional dinuclear zinc complex, di- μ -acetato-1:2 κ 4O:O ′ -( μ -2-acetyl-6-{[(Z)-2-bromo-3-oxoprop-1-en-1-yl]azanidyl}phenolato-1 κ 2O1,O2:2 κ 3O1,N,O6)(N,N-dimethylacetamide-1 κ O)dizinc(II), [Zn2(C11H8BrNO3)(CH3COO)2(C4H9NO)] or [Zn2(L)(CH3COO)2(DMA)], 1, was synthesized using (Z)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal (H2L), which was synthesized from 1-(3-amino-2-hydroxyphenyl)ethanone and 2-bromomalonaldehyde. H2L and 1 were characterized by single-crystal X-ray diffraction, FT – IR spectroscopy and elemental analysis. Theoretical calculations of the bond orders and excited state of H2L confirmed that there is extensive electron delocalization in the H2L molecules. Single-crystal X-ray diffraction shows that the two Zn atoms are pentacoordinated in distorted trigonal bipyramidal configurations in the crystals of 1. The thermogravimetric analysis of 1 shows that the main frame of the complex remains stable to about 190   ° C. Powder X-ray diffraction (PXRD) analysis shows that 1 possesses high purity and acid and alkali resistance. The intermolecular interactions of H2L and 1 were analyzed using Hirshfeld surface analysis and the results indicate that the H...H and O...H interactions of H2L and 1 play a considerable role in stabilizing the self-assembly process.

Source: Acta Crystallographica Section C - January 27, 2022 Category: Chemistry Authors: Jiang, T.-L. Li, W.-Z. Gao, Q.-F. Tan, D.-F. Pang, J.-Y. Zhang, S.-H. Tags: dinuclear zinc complex crystal structure Hirshfeld surface analysis prop-2-enal bond order research papers Source Type: research