Design, synthesis, characterization, molecular docking and computational studies of 3-phenyl-2-thioxoimidazolidin-4-one derivatives

U Vanitha, R Elancheran, V Manikandan… - Journal of Molecular …, 2021 - Elsevier
Breast cancer is the most widely recognized intrusive disease in women and the second
leading cause of cancer death worldwide. Thiohydantoins possess wide and interesting …

Synthesis, XRD, Hirshfeld surface analysis, DFT studies, cytotoxicity and anticancer activity of di (m-chlorobenzyl)(dichloro)(4, 7-diphenyl-1, 10-phenanthroline) tin (IV) …

C Bhaskar, N Elangovan, S Sowrirajan… - Journal of Molecular …, 2022 - Elsevier
The complex di (m-chlorobenzyl)(dichloro)(4, 7-diphenyl-1, 10-phenanthroline) tin (IV)
complex (B2) was synthesized and characterized by FT-IR, FT-Raman, 1 H NMR, 13 C …

Experimental and theoretical approach to the corrosion inhibition of mild steel in acid medium by a newly synthesized pyrazole carbothioamide heterocycle

F Boudjellal, HB Ouici, A Guendouzi, O Benali… - Journal of molecular …, 2020 - Elsevier
Abstract Heterocyclic compound such as 3, 5-disubstitued pyrazole carbothioamide was
synthesized by cyclocondensation reaction between chalcone derivative and …

Synthesis, XRD, spectral, structural, quantum mechanical and anticancer studies of di (p-chlorobenzyl)(dibromo)(1, 10-phenanthroline) tin (IV) complex

A Latha, N Elangovan, KP Manoj, M Keerthi… - Journal of the Indian …, 2022 - Elsevier
The tin complex di (p-chlorobenzyl)(dibromo)(1, 10-phenanthroline) tin (IV)(4CLBR) was
synthesised and subjected to characterization using spectroscopic techniques like FT-IR …

Synthesis, single crystal (XRD), spectral characterization, computational (DFT), quantum chemical modelling and anticancer activity of di (p-bromobenzyl)(dibromo)(1 …

A Latha, N Elangovan, KP Manoj, V Maheswari… - Journal of the Indian …, 2022 - Elsevier
The structure of the complex Di (p-bromobenzyldibromo)(1, 10-phenanthroline) tin (IV)
complex was confirmed by experiments with infrared, Raman, NMR, and a single crystal …

Synthesis, structure and photochromic properties of indoline spiropyrans with electron-withdrawing substituents

AD Pugachev, IV Ozhogin, MB Lukyanova… - Journal of Molecular …, 2021 - Elsevier
Indoline spiropyrans containing conjugated cationic vinyl-3H-indolium fragment and their
analogues with formyl substituent in the 2H-chromene moiety were synthesized by a simple …

Synthesis, Hirshfeld surface analysis, computational, wave function properties, anticancer and cytotoxicity activity of di [(p-chlorobenzyl)(dibromo)](4, 7-dimethyl-1, 10 …

T Sanakarganesan, N Elangovan… - Inorganica Chimica …, 2023 - Elsevier
The complex di [(p-chlorobenzyl)(dibromo)](4, 7-dimethyl-1, 10-phenanthroline) tin
(IV)(SA1), were synthesized by reacting the 4, 7-dimethyl-1, 10-phenanthroline with the …

Structural investigations and theoretical insights of a polymethoxy chalcone derivative: Synthesis, crystal structure, 3D energy frameworks and SARS CoV-2 docking …

K Kumara, M Jyothi, S Kouser, AHU Kumar… - Journal of Molecular …, 2023 - Elsevier
Chalcone derivatives with various functional groups have shown potent pharmacological
and non-linear optical properties. A multi‑methoxy substituted (E)-1-(3, 4-dimethoxyphenyl) …

Synthesis, spectral, single crystal XRD structure, Hirshfeld surface, molecular docking and in silico ADMET studies of symmetrical azine: 1, 2-bis (4 (methylthio) …

S Ramkumar, R Rajalakshmi - Materials Today: Proceedings, 2023 - Elsevier
Abstract FT-IR, 1 H NMR and 13 C NMR spectrum approaches were used to characterise 1,
2-bis (4 (methylthio) benzylidene) hydrazine (MTBHD), which was synthesized under …

Synthesis, characterization, crystal structure, Hirshfeld surface analysis, antioxidant properties and DFT calculations of a novel pyrazole derivative: ethyl 1-(2, 4 …

S Naveen, K Kumara, AD Kumar, KA Kumar… - Journal of Molecular …, 2021 - Elsevier
An effective route for the direct synthesis of substituted pyrazole through 3+ 2 annulation
method was described.(E)-ethyl 2-benzylidene-3-oxobutanoate was prepared from ethyl …