Abstract 6-Ethyl-4-hydroxy-2,5-dioxo-5,6-dihydro-2H-pyrano[3,2-c]quinoline-3-carboxaldehyde (HL) was synthesized as a ligand and subject to chelate with Cu(II) ion of different anions (AcO–, NO3–, SO42–ClO4–, Cl– and Br–) in presence and absence of auxiliary ligands (L′); N,O-donor; or N,N-donor such as 8-hydroxyquinoline, 1,10-phenanthroline and 2,2′-bipyridyl. The obtained results revealed that the ligand behaves as a neutral/monoanionic bidentate, forming chelates with molar ratio 1:1, (M:L). The metal complexes were fully characterized by analytical and spectral techniques in addition to thermal, magnetic susceptibility and conductivity measurements. The metal complexes displayed square planar and octahedral geometrical arrangements depending on the nature of the anion. The ligand and its complexes were screened for their antimicrobial activity against Gram–positive bacteria which are Staphylococcus aureus and Bacillus subtilis, Gram–negative bacteria which are E. coli and S. typhimurium, yeast (Candida albicans) and fungus (Aspergillus fumigatus). The antitumor activity of the HL ligand and its Cu(II) complexes were examined against Ehrlich Ascites Carcinoma cell line (EAC) from ascetic fluid of the female Swiss albino mice. To explore the most probable structure and the nature of bonding of HL ligand to metal ions; semi-emperical (PM3) calculations were achieved in gas phase. All theoretically possible structural data of the free ligand (HL) and its complexes have been correlated with the experimental data to explore the most probable structure.

中文翻译：

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二元和三元铜 (II) 与 6-乙基-4-羟基-2,5-dioxo-5,6-dihydro-2H-pyrano[3,2-c]quinoline-3-carboxaldehyde 络合物：合成、光谱、热, 分子建模、抗菌和抗肿瘤研究

摘要 合成了 6-Ethyl-4-hydroxy-2,5-dioxo-5,6-dihydro-2H-pyrano[3,2-c]quinoline-3-carboxaldehyde (HL) 作为配体并与 Cu 螯合。 (II) 不同阴离子（AcO–、NO3–、SO42–ClO4–、Cl– 和 Br–）在辅助配体 (L') 存在和不存在下的离子；N,O-供体；或 N,N-供体如 8-羟基喹啉、1,10-菲咯啉和 2,2'-联吡啶。获得的结果表明配体表现为中性/单阴离子双齿，形成摩尔比为 1:1 (M:L) 的螯合物。除了热、磁化率和电导率测量外，还通过分析和光谱技术对金属配合物进行了全面表征。根据阴离子的性质，金属配合物显示出方形平面和八面体几何排列。筛选配体及其复合物对革兰氏阳性菌（金黄色葡萄球菌和枯草芽孢杆菌）、革兰氏阴性菌（大肠杆菌和鼠伤寒沙门氏菌）、酵母（白色念珠菌）和真菌（烟曲霉）的抗菌活性。检查了 HL 配体及其 Cu(II) 复合物对来自雌性瑞士白化病小鼠腹水的艾氏腹水癌细胞系 (EAC) 的抗肿瘤活性。探索最可能的结构和HL配体与金属离子键合的性质；半经验 (PM3) 计算是在气相中实现的。游离配体 (HL) 及其配合物的所有理论上可能的结构数据都与实验数据相关联，以探索最可能的结构。