Citation: Xinting XIONG, Zhiqiang XIONG, Panlei XIAO, Xuliang NIE, Xiuying SONG, Xiuguang YI. Synthesis, crystal structures, Hirshfeld surface analysis, and antifungal activity of two complexes Na(Ⅰ)/Cd(Ⅱ) assembled by 5-bromo-2-hydroxybenzoic acid ligands[J]. Chinese Journal of Inorganic Chemistry, ;2024, 40(9): 1661-1670. doi: 10.11862/CJIC.20240145 shu

Synthesis, crystal structures, Hirshfeld surface analysis, and antifungal activity of two complexes Na(Ⅰ)/Cd(Ⅱ) assembled by 5-bromo-2-hydroxybenzoic acid ligands

1.
College of Chemistry & Materials, School of Information and Engineering, Key Laboratory of Chemical Utilization of Plant Resources of Nanchang, Jiangxi Agricultural University, Nanchang 330045, China
2.
Instrumental Analysis Center Nanchang Hangkong University, Nanchang 330063, China
3.
School of Chemistry and Chemical Engineering, Jinggangshan University, Ji'an, Jiangxi 343709, China

Corresponding author: Xuliang NIE, niexuliang1981@163.com Xiuguang YI, jayxgggchem@163.com
Received Date: 26 April 2024
Revised Date: 5 June 2024

Figures(14)

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 HBBAligand 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 complex 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 structure. 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 complex 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 Fusarium oxysporum f. sp. niveum and Rhizoctonia solani AG1 were the best, and the inhibitory rates were as high as 99.94% and 100%.
- 5-bromo-2-hydroxybenzoic acid,
- complex,
- synthesis,
- crystal structure,
- Hirshfeld surface analysis,
- antifungal activity
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