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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: 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
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 ...