Ara
Toplam kayıt 22, listelenen: 11-20
Synthesis, crystallographic structure, theoretical calculations, spectral and thermal properties of trans-diaquabis(trans-4-aminoantipyrine) cobalt(II) acesulfamate
(Elsevier Science Bv, 2019)
A new acesulfame derivative compound, trans-diaquabis(trans-4-aminoantipyrine)cobalt(II) acesulfamate that formulated as (C30H38CoN8O12S2) was synthesized and characterized by X-ray diffraction method, FT-IR, UV-Vis ...
Synthesis, crystal structure, photophysical properties, density functional theory calculations and molecular docking studies on Cd(II) complex of 4,4 '-dimethyl-2,2 '-dipyridyl
(Elsevier, 2020)
A Cd(II) complex containing 4,4'-dimethyl-2,2'-dipyridyl (dmbpy) and nitrate (NO3-) was synthesized, and its crystal structure was determined by single crystal X-ray diffraction method. A detailed investigation on the ...
Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of 2-[(2,3-dimethylphenyl)amino]-N '-[(E)-thiophen-2-ylmethylidene]benzohydrazide
(Elsevier, 2020)
Hydrazones are an important class of organic compounds, which exhibit large pharmacological applications. Hydrazones have long been used for the synthesis of a wide range of useful heterocyclic compounds due to their ...
Synthesis of a novel phenytoin derivative: Crystal structure, Hirshfeld surface analysis and DFT calculations
(Elsevier, 2020)
Hydantoin compounds are important heterocyclic scaffolds and a class of well-known bioactive molecules with a broad spectrum of pharmacological properties. Consequently, considerable efforts have been devoted to the design ...
X-ray diffraction, Hirshfeld surface, local and global chemical activity studies of a Bis{(E)-2,4-di-tert-butyl-6-((3-iodo-4-methylphenylimino)methyl)phenolato-N,O-}copper(II) complex
(Elsevier, 2020)
Cu(II) complex of (BINO)Cu, (E)-2,4-di-tert-butyl-6-((3-iodo-4-methylphenylimino)methyl)phenol, has been synthesized and characterized by FT-IR, UV-Vis and X-ray diffraction techniques. The (BINO)Cu complex crystallizes ...
Synthesis, structural and molecular characterization of 2,2-diphenyl-2H,3H,5H,6H,7H-imidazo[2,1-b][1,3]thiazin-3-one
(Elsevier, 2019)
The thiohydantoin scaffold is of substantial importance and it is commonly used in drug discovery. Herein, a novel thiohydantoin-based compound, namely 2,2-diphenyl-2H,3H,5H,6H, 7H-imidazo[2,1-b] [1,3]thiazin-3-one (PIT) ...
A novel 3-acetoxy-2-methyl-N-(4-methoxyphenyl)benzamide: Molecular structural describe, antioxidant activity with use X-ray diffractions and DFT calculations
(Elsevier, 2015)
In this work, the structure of a novel 3-acetoxy-2-methyl-N-(4-methoxyphenyl) benzamide, was analyzed both experimentally and theoretically using three methods, X-ray single crystal diffraction technique, IR spectroscopy, ...
Synthesis, spectral properties, in vitro alpha-glucosidase inhibitory activity and quantum chemical calculations of novel mixed-ligand M(II) complexes containing 1,10-phenanthroline
(Wiley, 2020)
A series of mixed-ligand M(II) complexes containing 1,10-phenanthroline (phen) and 3-methylpyridine-2-carboxylic acid (3-mpaH) or 6-methylpyridine-2-carboxylic acid (6-mpaH), namely [Co(3-mpa)(2)(phen)]center dot 3H(2)O ...
Experimental (XRD, IR and NMR) and theoretical investigations on 1-(2-nitrobenzoyl)3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
(Elsevier Science Bv, 2016)
The pyrazole compound 1-(2-nitrobenzoyl)3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (I) has been synthesized and characterized by IR, NMR and X-ray diffraction methods. The compound crystallizes in the monoclinic space ...
Direct and solvent-assisted thione-thiol tautomerism in 5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione: Experimental and molecular modeling study
(Elsevier, 2014)
The compound has been synthesized and characterized by IR, NMR and X-ray diffraction. Quantum chemical calculations at B3LYP/6-311++G(d,p) level were performed to study the molecular and spectroscopic properties, conformational ...