Detailed theoretical molecular modeling, spectral (NMR, FT-IR, and UV–vis) analysis,
electronic properties, and in silico biological study of N-(3-Methylcyclohexyl)-2-phenyl …

In this study, a series of new Schiff bases, based on a pyrimidine core, were synthesized by
the condensation reactions of 1-amino-5-(4-methylbenzoyl)-4-p-tolylpyrimidin-2 (1H)-one …

Density functional theory (DFT) approach has become the most cost-effective way to study
the molecular structure and has found wide applications related to vibrational spectral …

Introduction: Hydrazones have been reported for various biological activities, such as
anticancer. The presence of the azomethine group (-NHN= CH-) makes these compounds …

Molecular structures, spectroscopic properties (IR, 1 H NMR and 13 C NMR, UV-VIS),
molecular electrostatic potential maps and some molecular properties (ionization energy …

We report the synthesis and characterisation of the Schiff base (E)-4-((2-hydroxy-3, 5-
diiodobenzylidene) amino)-N-thiazole-2-yl) benzene sulfonamide (DITH) prepared the by …

Density Functional Theory (DFT) was used to optimize the geometry of (2E)-1-phenyl-butane-
1, 2, 3-trione 2-[(2-oxo-2H-chromene-6-yl) hydrazone]. The DFT computations were based …

A novel series of benzildihydrazone derived Schiff base compounds having electron-
accepting and donor-donating appendices were synthesized. A combined experimental and …

ABSTRACT A novel series of quinoline hydrazide bridged derivatives were synthesized by a
multistep reaction from vanillic acid. The reactions involved esterification, O-alkylation …

In this present work, the target compound, 2-amino-4-(4-nitrophenyl)− 5, 6-dihydrobenzo [h]
quinoline-3-carbonitrile, has been synthesized and characterized by FT-IR, 1 H-NMR, 13 C …