Two new Cr(III) complexes of pyridine-2,6-dicarboxylato(2-) ligands with pyridinium type counter cations: Synthesis, structures, thermal behavior, Hirshfeld surface analysis and antibacterial activities

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron Pub Date : 2025-07-07 DOI:10.1016/j.poly.2025.117667

Anselme E.K. Diffo , Bridget N. Ndosiri , Ledoux S. Pouamo , Colince Nde , Martin Signé , Tiberiu Roman , Mohammad Azam , Justin Nenwa

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Abstract

Two novel organic–inorganic hybrid salts, (C₅H₆N)[Cr(pydc)₂]·pydcH₂·5H₂O (1) and (C₅H₇N₂)[Cr(pydc)₂] (2) (C₅H₆N⁺ = pyridinium cation, C₅H₇N₂⁺ = 3-aminopyridinium cation, pydcH₂ = pyridine-2,6-dicarboxylic acid) have been synthesized and characterized using elemental analyses and spectroscopic techniques, including FT-IR and UV/Vis spectroscopic studies. Thermogravimetric analysis (TGA) was performed to evaluate the thermal stability and decomposition behavior of the synthesized compounds. The results confirmed that compound 1 contained water molecules, whereas compound 2 was determined to be anhydrous. Structural elucidation was accomplished through powder and single-crystal X-ray diffraction, enabling a detailed understanding of their crystallographic features and molecular arrangement. The [Cr(pydc)₂]⁻ anion, common to the two compounds, exhibits a six-coordinate arrangement, where the chromium(III) center adopts a distorted octahedral geometry formed by two tridentate pyridine-2,6-dicarboxylate (pydc²⁻) ligands. Compound 1 exhibits layers constructed of cations and complex anions, whereas compound 2 features alternating layers of cations and complex anions. The Hirshfeld surface analysis revealed that O⋯H/H⋯O interactions are the most abundant, with a contribution of 46.2 % (for 1) and 47.8 % (for 2). Evaluation of the antibacterial activity revealed that compound 2 exhibited high antibacterial activity against E. coli and S. typhi (MIC 0.09; 0.09 mg/mL) compared with compound 1 (MIC 1.17; 0.14 mg/mL) and the reference antibiotic ciprofloxacin, which showed MIC values of 0.97 mg/mL and 1.95 mg/mL, respectively.

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两种新型吡啶-2,6-二羧基配体（2-）配合物的合成、结构、热性能、Hirshfeld表面分析和抗菌活性

合成了两种新型有机-无机杂化盐（C5H6N）[Cr(pydc)2]·pydcH2·5H2O(1)和（C5H7N2）[Cr(pydc)2] (2) （C5H6N+ =吡啶阳离子，C5H7N2+ = 3-氨基吡啶阳离子，pydcH2 =吡啶-2,6-二羧酸），并利用元素分析和光谱技术，包括FT-IR和UV/Vis光谱研究对其进行了表征。热重分析（TGA）评价了合成化合物的热稳定性和分解行为。结果证实化合物1含有水分子，而化合物2被确定为无水分子。通过粉末和单晶x射线衍射完成了结构解析，从而详细了解了它们的晶体学特征和分子排列。两种化合物共有的[Cr(pydc) 2]−阴离子呈六坐标排列，其中铬（III）中心由两个三齿吡啶-2,6-二羧酸盐（pydc2−）配体形成扭曲的八面体结构。化合物1具有由阳离子和复合阴离子组成的层，而化合物2具有阳离子和复合阴离子交替层。Hirshfeld表面分析显示，O⋯H/H⋯O相互作用最为丰富，贡献为46.2%（图1）和47.8%（图2）。抑菌活性评价表明，化合物2对大肠杆菌和伤寒沙门氏菌具有较高的抑菌活性(MIC为0.09；0.09 mg/mL)，与化合物1 （MIC 1.17）相比；0.14 mg/mL)和参考抗生素环丙沙星的MIC值分别为0.97 mg/mL和1.95 mg/mL。

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来源期刊

Polyhedron 化学-晶体学

CiteScore

4.90

自引率

7.70%

发文量

515

审稿时长

2 months

期刊介绍： Polyhedron publishes original, fundamental, experimental and theoretical work of the highest quality in all the major areas of inorganic chemistry. This includes synthetic chemistry, coordination chemistry, organometallic chemistry, bioinorganic chemistry, and solid-state and materials chemistry. Papers should be significant pieces of work, and all new compounds must be appropriately characterized. The inclusion of single-crystal X-ray structural data is strongly encouraged, but papers reporting only the X-ray structure determination of a single compound will usually not be considered. Papers on solid-state or materials chemistry will be expected to have a significant molecular chemistry component (such as the synthesis and characterization of the molecular precursors and/or a systematic study of the use of different precursors or reaction conditions) or demonstrate a cutting-edge application (for example inorganic materials for energy applications). Papers dealing only with stability constants are not considered.