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Crystal structure and DFT computational studies of (E)-2,4-di-tert-butyl-6-{[3-(trifluoromethyl)benzyl]-iminomethyl}phenol

Kaynar, Nihal Kan; Tanak, Hasan; Macit, Mustafa; Özdemir, Namık (Int Union Crystallography, 2020)

The title compound, C23H28F3NO, is an ortho-hydroxy Schiff base compound, which adopts the enol-imine tautomeric form in the solid state. The molecular structure is not planar and the dihedral angle between the planes of ...

Synthesis, DFT computations and antimicrobial activity of a Schiff base derived from 2-hydroxynaphthaldehyde: Remarkable solvent effect

Tercan, Melek; Özdemir, Namık; Ozdemir, Fethi Ahmet; Serbetci, Zafer; Erdener, Digdem; Cetinkaya, Bekir; Dayan, Osman (Elsevier, 2020)

A new Schiff base bearing sulfonamide group was synthesized and characterized by spectroscopic techniques. Its spectroscopic properties were investigated through density functional theory (DFT/B3LYP) method with the ...