41 Result(s)
within
Muhammad Nawaz Tahir
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
Synthesis, Structural Elucidation and DNA-Binding Studies of Centrosymmetric Paddlewheel Copper Carboxylate Complexes
Synthesis, characterization and structural relevance of four new copper carboxylate complexes (1–4) has been presented here. The complexes have been synthesized by direct treatment of the substituted phenyl aceta...
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Article
Ultrasound irradiation synthesis of novel copper(II) complex with the 2-thiophenimidazoline ligand: SC-XRD, HSA, and DFT study
A novel coordination CuCl2(L)2 complex was synthesized by complexation of the 2-thiophenimidazoline ligand with CuCl2.2H2O in less than 10 min. The synthesis was done using ultrasound irradiation in an ethanol so...
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Article
Docking, DFT, and structural study of N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)benzamide
In the current work, we report the synthesis and characterization of N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)benzamide by reacting 4-aminoantipyrine and benzoylisothiocynate i...
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Article
Crystal structure, supramolecular assembly exploration by Hirshfeld surface analysis and DFT inspection of the synthesized functionalized crystalline anilide
The current research work is about the synthesis of functionalized crystalline anilide, i.e., (Z)-4-((2-nitrophenyl)amino)-4-oxobut-2-enoic acid (NAOB) and its experimental and theoretical investigation. The sing...
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Article
Structural and computational analysis, spectroscopic and electrochemical elucidation of a Schiff base
Schiff base 4-(((3-(trifluoromethyl)phenyl)imino)methyl)phenol (TPP) was successfully synthesized and characterized by FT-IR, NMR and SC-XRD. Crystal analysis pointed up the presence of two crystallographicall...
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Article
Synthesis and antioxidant screening of Novel indole amines
Novel indoles amines have been synthesized and screened for antioxidant activity. Chiron approach is used to synthesis enantiopure heterocycles. Newly synthesized indole amines showed good antioxidant potentia...
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Article
Single crystal inspection, Hirshfeld surface investigation and DFT study of a novel derivative of 4-fluoroaniline: 4-((4-fluorophenyl)amino)-4-oxobutanoic acid (BFAOB)
The title compound, C10H10FNO3, also known as [4-((4-fluorophenyl)amino)-4-oxobutanoic acid] (BFAOB), is synthesized efficiently, and its structure is confirmed by the SC-XRD technique, which indicates that two c...
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Article
Open AccessSynthesis, crystal structure, Hirshfeld surface investigation and comparative DFT studies of ethyl 2-[2-(2-nitrobenzylidene)hydrazinyl]thiazole-4-carboxylate
The ethyl 2-[2-(2-nitrobenzylidene)hydrazinyl]thiazole-4-carboxylate (1), a thiazole ester, was synthesized by refluxing 1-(2-nitrobenzylidene)thiosemicarbazide and ethyl bromopyruvate. The compound is characteri...
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Article
Nickel(II), copper(II) and zinc(II) complexes containing symmetrical Tetradentate Schiff base ligand derived from 3,5-diiodosalicylaldehyde: Synthesis, characterization, crystal structure and antimicrobial activity
Novel transition metal complexes of nickel(II), copper(II) and zinc(II) with a symmetrical tetradentate Schiff base, obtained by condensation of 1,3-diaminopropane and 3,5-diiodosalicylaldehyde, N,N′-bis(3,5-d...
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Article
Selective oxidation of benzyl alcohols to benzaldehydes catalyzed by dioxomolybdenum Schiff base complex: synthesis, spectral characterization, crystal structure, theoretical and computational studies
A novel dioxomolybdenum Schiff base complex, MoO2L·DMF, was synthesized by treating MoO2(acac)2 with an ONO donor Schiff base ligand (H2L) derived by the condensation of 4-aminobenzohydrazide and 3-methoxysalicyl...
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Article
Designing, spectroscopic and structural characterization and evaluation of biological potential as well as molecular docking studies of Zn(II)-based metallo-pharmaceuticals
Six new Zn(II) carboxylates derived from 2-(3-chlorophenyl) acetic acid, 2-(2-chlorophenyl) acetic acid and 2-(2-methoxy phenyl) acetic acid were synthesized and characterized by FTIR, multinuclear NMR (1H and 13
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Article
Synthesis of novel organotin(IV) complex for multiple applications: as biologically potent and single molecular precursor
This work reports a facile solution-based synthesis of novel single molecular precursor (SMP), triphenylstannyl 4-((4-bromophenyl) amino)-4-oxobut-2-enoate complex (2). The as-prepared SMP was characterized by...
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Article
Synthesis, single-crystal X-ray diffraction, and in vitro biological evaluation of sodium, cobalt, and tin complexes of o-nitro-/o-methoxyphenylacetic acid: experimental and theoretical investigation
Four new metal carboxylates with o-nitro- and o-methoxyphenylacetic acid were synthesized and well characterized using single-crystal XRD. The synthesized complexes were evaluated for their biological potentials ...
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Article
Synthesis, crystal structure, spectroscopic investigations, and computational studies of Ni(II) and Pd(II) complexes with asymmetric tetradentate NOON Schiff base ligand
In the present study, an asymmetric tetradentate NOON Schiff base ligand 2,2′-((4-methyl-1,2-phenylene)bis(nitrilomethylylidene))bis(4-chlorophenol) (H2L) was synthesized by condensation of 4-methylphenylenediami...
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Article
Mixed-Ligand Cu(II) Carboxylates: Synthesis, Crystal Structure, FTIR, DNA Binding, Antidiabetic, and Anti-Alzheimer’s Studies
A series of four new copper(II) complexes [Cu2(2-BrC6H4CH2COO)4(Phen)2] (1), [Cu(2-BrC6H4CH2COO)2(Bipy)] (2), [Cu2(2-BrC6H4CH2COO)4(3-BrPy)2] (3) and [Cu2(2-BrC6H4CH2COO)4(3-MePy)2] (4) where Phen = 1,10-phenenth...
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Article
The role of hydrogen bonding in π···π stacking interactions in Ni(II) complex derived from triethanolamine: synthesis, crystal structure, antimicrobial, and DFT studies
A complex, Ni(C6H15NO3)2]·2C7H5O2 (1) has been synthesized from the reaction of nickel salt with triethanolamine (TEA) and benzoate in MeOH and characterized by FTIR, elemental analysis and single crystal X-ray d...
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Article
Synthesis, crystal structure, experimental and theoretical studies of tetradentate N2O2 Schiff base ligand and its Ni(II) and Pd(II) complexes
The synthesis of a novel ligand bis(3-methoxysalicylidene)-4-methylbenzene-1,2-diamine (H2L) has been carried out by the condensation of 4-methylbenzene-1,2-diamine with 3-methoxysalicylaldehyde. The Ni(II) and P...
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Article
Synthesis, X-ray structure, and DFT modeling of a new polymeric zinc(II) complex of 2-mercaptonicotinic acid (MntH), {[Zn(Mnt–Mnt)(en)]·H2O}n
Two zinc(II) complexes of 2-mercaptonicotinic acid (MntH), {[Zn(Mnt–Mnt)(en)]·H2O}n and [Zn(Mnt–Mnt)(H2O)], were prepared by the reaction of ZnCl2 and MntH in the presence of ethylenediamine (en). They were chara...
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Reference Work Entry In depth
Quince Seed Mucilage: A Stimuli-Responsive/Smart Biopolymer
Biopolymers are functional materials that offer structural integrity to sense external stimuli such as temperature, pH, or ionic strength. Therefore, they are the ideal candidate for a variety of technological...
