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Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2
(Walter De Gruyter Gmbh, 2016)
C9H12N2O2, triclinic, P (1) over bar (no. 2), a - 6.6954(7) angstrom, b - 7.6325(8) angstrom, c = 9.8928(11) angstrom, alpha = 95.908(9)degrees, beta = 92.810(9)degrees, gamma = 108.360(8)degrees. V = 475.49(9) angstrom(3), ...
Syntheses and molecular structures of novel Ru(II) complexes with bidentate benzimidazole based ligands and their catalytic efficiency for oxidation of benzyl alcohol
(Elsevier Science Bv, 2016)
Five bidentate ligands derived from quinoline-2-carboxylic acid, i.e. 2-(1H-benzimidazol-2-yl)quinoline (L1), 2-(1-benzyl-1H-benzimidazol-2-yl)quinoline (L2), 2-[1-(2,3,5,6-tetramethylbenzyl)-1H-benzimidazol-2-yliquinoline ...
Supramolecular nickel complex based on thiosemicarbazone. Synthesis, transfer hydrogenation and unexpected thermal behavior
(Pergamon-Elsevier Science Ltd, 2016)
The cationic thiosemicarbazone complex of nickel containing triphenylphosphine as coligand was synthesized through the isopropanol-assisted hydrogen transfer reaction. The thiosemicarbazone ligand (LH2) and its cationic ...
Functionalized imidazolium and benzimidazolium salts as paraoxonase 1 inhibitors: Synthesis, characterization and molecular docking studies
(Pergamon-Elsevier Science Ltd, 2016)
Paraoxonase (PON) is a key enzyme in metabolism of living organisms and decreased activity of PON1 was acknowledged as a risk for atherosclerosis and organophosphate toxicity. The present study describes the synthesis, ...
Divalent nickel complexes of thiosemicarbazone based on 5-bromosalicylaldehyde and triphenylphosphine: Experimental and theoretical characterization
(Pergamon-Elsevier Science Ltd, 2016)
Two nickel(II) complexes containing 5-bromosalicylidene-N-methyl-S-methyl-isothiosemicarbazone (H(2)SMeNMeTsc) and 5-bromosalicylidene-N-methyl-thiosemicarbazone (H(2)NMeTsc) with triphenylphosphine were synthesized. The ...
Synthesis, molecular structure, spectroscopic characterization, NBO, NLO and NPA analysis and in vitro cytotoxicity study of 3-chloro-N-(4-sulfamoylphenethyl)propanamide with experimental and computational study
(Elsevier Science Bv, 2016)
In present work, the sulfonamide compound, 3-chloro-N-(4-sulfamoylphenethyl)propanamide, has been synthesized and characterized by FT-IR, H-1-NMR, C-13-NMR, UV-vis and X-Ray single crystal determination. The compound ...
Quantum chemical study of tautomerism in 2-[(4-phenylthiazol-2-yl)hydrazonomethyl] phenol
(Elsevier Science Bv, 2016)
The relative stabilities of five tautomers of 2-[(4-phenylthiazol-2-yl)hydrazonomethyl]phenol were calculated at the B3LYP/6-311+G(d,p) and MP2/6-311+G(d,p) levels of theory. The possible tautomeric transformations were ...
Synthesis, Structural, and Spectroscopic (FT-IR, NMR, and UV) Characterization of 1-(Cyclohexylmethyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole by Experimental Techniques and Quantum Chemical Calculations
(Pleiades Publishing Inc, 2016)
The title compound (II), 1-(cyclohexylmethyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole (C19H21N3), was synthesized via N-alkylation of 2-(pyridin-2-yl)-1H-benzo[d] imidazole (I). Both compounds I and II were characterized by ...
Spectroscopic, electrochemical and X-ray diffraction studies on nickel(II)-complexes of acetophenone thiosemicarbazones substituted six-carbon groups
(Elsevier Science Sa, 2016)
Reactions of [Ni(PPh3)(2)Cl-2] with 3-Bromo-5-chloro-2-hydroxyacetophenone-N-4-hexyl ((LH2)-H-1), cyclohexyl (L2H2) and phenyl ((LH2)-H-3)-thiosemicarbazones resulted in four coordinated (ONSP) nickel(II) complexes, ...
Investigation of enol-imine/keto-amine tautomerism in (E)-4-[(2-hydroxybenzylidene)amino]phenyl benzenesulphonate by experimental and molecular modelling methods
(Taylor & Francis Ltd, 2016)
The Schiff base compound (E)-4-[(2-hydroxybenzylidene)amino]phenyl benzenesulphonate has been synthesised from the reaction of 4-aminophenyl benzenesulphonate and salicylaldehyde, and characterised by spectroscopic and ...
