12 Result(s)
within
Necmi Dege
Organic Chemistry
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Article
A copper(II) chloride coordination compound with 2-phenyl-4,5-dihydro-1H-imidazole ligand: synthesis, characterization, crystal structure, HSA, and DFT studies
Under ultrasound irradiation in an ethanol solvent, a new coordination complex of Cu(II) was successfully synthesized within a 10-min timeframe through the treatment of an imidazole-based ligand (PDI) with a c...
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Article
Theoretical study of the stability and reactivity of nitro-coumarins and amino-coumarins by DFT method
The nitration reaction was applied to synthesize new substituted coumarin derivatives which undergo a reduction reaction to give the corresponding amino-coumarins. The structures of the nitro-coumarins and ami...
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Article
Exploring crystal structure, Hirshfeld surface and quantum mechanical attributes of symmetric thiophene Schiff base
A novel compound (1E,1′E)-N,N′-(ethane-1,2-diyl)bis(1-(5-nitrothiophen-2-yl)methanimine) [EDNM] was synthesized from thiophene derivative in view to get multidentate ligand with potential biological activity. ...
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Article
Structural, physico-chemical properties of a hybrid material based on Anderson-type polyoxomolybdates
A new organic–inorganic hybrid compound based on a rare β-isomer of Anderson polyoxomolybdates cluster with mixed cations, ammonium and hexamethylenetetramine has been synthesized by the slow-evaporation metho...
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Article
Correction to: Novel metal complexes containing 6‑methylpyridine‑2‑carboxylic acid as potent α‑glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking
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Article
Correction to: Two New Co(II) Complexes of Picolinate: Synthesis, Crystal Structure, Spectral Characterization, α-Glucosidase İnhibition and TD/DFT Study
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Article
Theoretical and experimental approaches of new Schiff bases: efficient synthesis, X-ray structures, DFT, molecular modeling and ADMET studies
Two new Schiff bases (E)-1-(3-((2-hydroxy-3-methylbenzylidene)amino)phenyl)ethan-1-one (1) and (E)-2-(((3-chloro-4-(4-chlorophenoxy)phenyl)imino)methyl)-6-methylphenol (2) were synthesized by already reported met...
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Article
Synthesis, Structure and Hirshfeld Surface Analysis of a New Iron Complex [Fe(N4Py)(tcnspr)] (tcnspr)
We report the synthesis, crystal structure and Hirshfeld surface analysis of Fe(II) complex based on a pentadentate N4Py (N4Py = N,N-bis(2-pyridylmethyl)-N-(bis-2-pyridylmethyl)amine) and polynitrile tcnspr (1,1,...
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Article
Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent α-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking
The World Health Organization (WHO) report shows that diabetes mellitus (DM) will be one of the ten deadly diseases in the near future. The best way to prevent DM is to decrease blood glucose levels and keep u...
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Article
Two New Co(II) Complexes of Picolinate: Synthesis, Crystal Structure, Spectral Characterization, α-Glucosidase İnhibition and TD/DFT Study
Co(II) complexes of 2-picolinic acid (picH) and 6-methylpyridine-2-carboxylic acid (6-MepicH) {[Co(pic)2·2H2O], (1), [Co(6-Mepic)(pic)·2H2O], (2)} were obtained and their structural and spectroscopic properties w...
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Article
Experimental and DFT Studies on Poly[di-μ3-acesulfamato-O,O:O′;O′:O,O-di-μ-acesulfamato-O,O; N-di-μ-aqua-dicalcium(II)] Complex
The crystal structure of the title compound, C32H40Ca4N8O36S8, was determined at 296 K. The parameters that belong to this structure are a = 12.9812(9) Å, b = 7.0377(3) Å, c = 16.3973(12) Å, β = 109.175(5)o and Z...
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Article
One Dimensional Coordination Polymer of Nickel(II)-Squarate with N,N,N′,N′-tetramethylethylenediamine, {[Ni(μ-sq)(H2O)2(tmen)]·H2O}n
A novel 1D coordination polymer {[Ni(μ-sq)(H2O)2(tmen)]·H2O}n (H2sq = squaric acid and tmen = N,N,N′,N′ -tetramethylethylenediamine) has been synthesized and structurally characterized by ...
