Synthesis,crystal structures,Hirshfeld surface analysis,and antifungal activity of two complexes Na(Ⅰ)/Cd(Ⅱ)assembled by 5-bromo-2-hydroxybenzoic acid ligands
Na(Ⅰ)/Cd(Ⅱ)complexes,[Na(HBBA)]n(1)and[Cd(HBBA)2(4,4'-Bipy)]n(2),(H2BBA=5-bromo-2-hydroxy-benzoic acid and 4,4'-Bipy=4,4'-bipyridine)were synthesized with 5-bromo-2-hydroxybenzoic acid ligands by solvo-thermal condition and structurally characterized by elemental analysis,IR,thermogravimetric analysis,powder X-ray diffraction and single crystal X-ray diffraction.The asymmetric unit of complex 1 consists of one Na(Ⅰ)ion and one HBBA-ligand.Na(Ⅰ)ion is a six-coordinated triangular prism structure.Three oxygen atoms of the HBBA-ligand coordinate with two Na(Ⅰ)ions,connecting adjacent Na(Ⅰ)ions to form three 1D chain structures,and the HBBA-ligand connects three adjacent 1D chains to form a 2D network structure.Intermolecular hydrogen bonds connect adjacent 2D network structures to form a 3D hydrogen bond network structure.The asymmetric unit of com-plex 2 consists of one Cd(Ⅱ)ion,two HBBA-ligands,and one 4,4'-Bipy ligand.Cadmium ion is a six-coordinated twisted octahedron structure,and the 4,4'-Bipy ligand connects two adjacent cadmium ions to form a 1D chain struc-ture.Intermolecular hydrogen bonds connect adjacent 1D links to form a 3D hydrogen bond network structure.The weak intermolecular interaction in building crystal blocks was analyzed in detail by Hirshfeld surface analysis.The reciprocal Na…O/H…Br/H… H/C…C/C…H/O…O contacts dominate over 87％of total Hirshfeld surface of com-plex 1,and the reciprocal H…H/H… O/H…Br/C…C/C…H/O… O/C…Br contacts dominate over 86.8％of the total Hirshfeld surface of complex 2.The thermal stability and antifungal activity of complexes 1 and 2 were studied in detail.Complex 2 has a good inhibitory effect on eight pathogenic fungi,among which the antifungal effect on Fusar-ium oxysporum f.sp.niveum and Rhizoctonia solani AG1 were the best,and the inhibitory rates were as high as 99.94％and 100％.CCDC:2330874,1;2330873,2.
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