• Synthesis, experimental and theoretical studies of two cocrystals in 1:1 stoichiometric ratio from 4,4'-bithiazole-2,2'-diamine with two hydrogen acceptor molecules

    • Fulltext

       

        Click here to view fulltext PDF


      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/127/11/2015-2021

    • Keywords

       

      Co-crystal; 4,4'-bithiazole-2,2'-diamine; X-ray crystallography; thermal analysis; theoretical studies; DFT.

    • Abstract

       

      This paper reports synthesis, characterization and theoretical studies of two 1:1 stoichiometric ratio cocrystals of 4,4'-bithiazole-2,2'-diamine (DABTZ) with 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) and 1,3-bis(4-pyridyl)ethane (bpa). These cocrystal compounds have been prepared by slow evaporation method and characterized by elemental and thermal analysis, FTIR, $_{}^{1}$H and $_{}^{13}$C-NMR spectroscopies and X-ray crystallography. X-ray crystal analyses show that these structures [(DABTZ) (bpo)] and [(DABTZ) (bpa)] have crystallized in monoclinic forms with space groups of P21/n and C2/c, respectively. These structures were studied theoretically and the results are in good agreement with the experimental data.

    • Author Affiliations

       

      Zohreh Rashidi Ranjbar1 Ali Morsali2

      1. Department of Chemistry, Faculty of Sciences, Shahid Bahonar University of Kerman, P.O. Box 76169-133, Kerman, Iran
      2. Department of Chemistry, Faculty of Sciences, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Islamic Republic of Iran
    • Dates

       
    • Supplementary Material

       
  • Journal of Chemical Sciences | News

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

© 2017-2019 Indian Academy of Sciences, Bengaluru.