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Toplam kayıt 3, listelenen: 1-3
Theoretical and experimental investigation of 4-[(2-hydroxy-3-methylbenzylidene)amino]benzenesulfonamide: Structural and spectroscopic properties, NBO, NLO and NPA analysis
(Elsevier Science Bv, 2015)
The sulfonamide compound, 4[(2-hydroxy-3-methylbenzylidene)amino]benzenesulfonamide was synthesized and grown as a high quality single crystal by the slow evaporation solution growth technique. The structure of the compound ...
Molecular structure, spectroscopic characterization and DFT calculations of a novel (Z)-1-[(2-Ethylphenylamino)methylene]naphthalene-2(1H)-one
(Elsevier, 2015)
A novel Schiff base compound (Z)-1-[(2-Ethylphenylamino)methylene]naphthalene-2(1H)-one was synthesized from the reaction of 2-hydroxy-1-naphthaldehyde with 2-ethylaniline. The structural properties of the compound have ...
Direct and solvent-assisted keto-enol tautomerism and hydrogen-bonding interactions in 4-(m-chlorobenzylamino)-3-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one: a quantum-chemical study
(Springer, 2015)
The tautomeric equilibrium of the title triazole compound was computationally analyzed at the B3LYP/6-311++G(d,p) and MP2/6-311++G(d, p) levels of theory. The solvent effect was considered for three solvents (chloroform, ...