• 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:

    • 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

© 2021-2022 Indian Academy of Sciences, Bengaluru.