Title of article :
Synthesis, growth, characterization, structure and molecular docking studies of 1-[(E)-{[4-(morpholin-4-yl)phenyl]imino} methyl]naphthalen-2-ol single crystal: A potential antimicrobial agent
Author/Authors :
Ranjith، نويسنده , , S. and Sugumar، نويسنده , , P. and Rajagopal، نويسنده , , G. and Udayakumar، نويسنده , , M. and Ponnuswamy، نويسنده , , M.N.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2014
Abstract :
High-quality single crystals of 1-[(E)-{[4-(Morpholin-4-yl)phenyl]imino}methyl]naphthalen-2-ol were grown by slow evaporation method using ethylacetate solution at room temperature and the sample is characterized by FTIR, UV–visible, NMR and single crystal X-ray diffraction studies. The crystal structure was solved by direct methods and refined by full-matrix least-squares procedure to a final reliability value of 0.047. The asymmetric unit contains two crystallographically independent molecules in different orientations. The weak O- -H⋯N and C- -H⋯π interactions are responsible for the stability of the molecules in the unit cell. The antimicrobial activity of the compound was screened using different species of bacteria and for their ability to inhibit the heat shock protein 90(Hsp90). Molecular docking studies also supported the work.
Keywords :
Morpholine , Growth , antimicrobial activity , molecular docking , crystal structure
Journal title :
Journal of Molecular Structure
Journal title :
Journal of Molecular Structure