Synthesis, crystal structure, and Hirschfeld surface analysis of Ni(II) complex [Ni(H1.5bhbm)2(AcO)]·11H2O containing supra-water network

Abstract

ABSTRACTA new complex [Ni(H1.5bhbm)2(AcO)]·11H2O (1) (H2bhbm = [(5-Bromo- 2-hydroxy-benzylidene)-amino]-methanesulfonic acid) was synthesized, and its structure was determined by elemental analysis, X-ray diffraction analysis, and Hirschfeld surface analysis. The crystal belongs to hexagonal system, space group R-3. The Ni(II) ion is coordinated by two N atoms and four O, atoms forming a distorted octahedral environment. A supra-water network was formed through abundant O-H···O hydrogen bonds. According to the 3D Hirschfeld surface and 2D fingerprint plots, the main interactions in 1 are the H···H, O···H, Br···H and Br···Br contacts.