X-ray Single Crystal Structure, DFT Calculations and Biological Activity of 2-(3-Methyl-5-(pyridin-2’-yl)-1H-pyrazol-1-yl) Ethanol

X-ray Single Crystal Structure, DFT Calculations and Biological Activity of 2-(3-Methyl-5-(pyridin-2’-yl)-1H-pyrazol-1-yl) Ethanol

A pyridylpyrazole bearing a hydroxyethyl substituent group has been synthesized by condensation of (Z)-4-hydroxy-4-(pyridin-2-yl)but-3-en-2-one with 2-hydroxyethylhydrazine. The compound was well characterized and its structure confirmed by single crystal X-ray diffraction. Density functional calcul...

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Bibliographic Details
Main Authors: Smaail Radi, Ahmed Attayibat, Mohamed El-Massaoudi, Amin Salhi, Driss Eddike, Monique Tillard, Yahia N. Mabkhot
Format: Article
Language:English
Published: MDPI AG 2016-08-01
Series:Molecules
Subjects:
pyridylpyrazole
single-crystal
DFT calculations
reactivity indices
Fukui functions
Parr functions
biological activity
Online Access:http://www.mdpi.com/1420-3049/21/8/1020

Internet

http://www.mdpi.com/1420-3049/21/8/1020

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