Abstract
A new derivative of Meldrum's acid
5-(5-chloropyridin-2-ylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dio
ne (CYMM) of molecular fotmula C12H11CIN2O4 was synthesized and
structurally characterized using single crystal X-ray diffraction
technique. The vibrational properties of the crystal were studied by
Fourier Transform infrared (FT-IR), Fourier Transform Raman (FT-Raman)
techniques and theoretical calculations of quantum chemistry using
Density functional theory (DFT) and Density functional perturbation
theory (DFPT). A comparison with experimental spectra allowed,the
assignment of all the normal modes. The descriptions of the normal modes
were carried by means of potential energy distribution (PED).
Additionally, analysis of the antimicrobial activity and antibiotic
resistance modulatory activity was carried out to evaluate the
antibacterial potential of the CYMM. (C) 2017 Elsevier B.V. All rights
reserved.
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