A quinoline-benzotriazole derivative: Synthesis, crystal structure and characterization by using spectroscopic, DFT and molecular docking methods

A quinoline-benzotriazole derivative: Synthesis, crystal structure and characterization by using spectroscopic, DFT and molecular docking methods

In this research, FT-IR, NMR (1H & 13C), mass spectrometry and single-crystal X-ray diffraction has been used to characterize the synthesized 5-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)quinolin-8-ol (DD2) derivative. B3LYP calculations with the 6-31G* and 6–311++G** basis sets have shown that...

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Bibliographic Details
Main Authors: Banacer Himmi, Silvia A. Brandán, Yusuf Sert, Ameed Ahmed Kawther, Necmi Dege, Emine Berrin Cinar, Ahmed El Louzi, Khalid Bougrin, Khalid Karrouchi
Format: Article
Language:English
Published: Elsevier 2023-01-01
Series:Results in Chemistry
Subjects:
Quinoline
Benzotriazole
Crystal structure
DFT
Molecular docking
Antiviral
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715623001558

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http://www.sciencedirect.com/science/article/pii/S2211715623001558

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