• 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
  • Pages
    8
  • From page
    21
  • To page
    28
  • 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
  • Serial Year
    2014
  • Journal title
    Journal of Molecular Structure
  • Record number

    1975917