• Crystal structure of 6-[(1-methyl-4-nitroimidazol-5-yl)thio] purine

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    • Keywords


      Mercaptopurine; crystal structure; direct methods; immunosuppressor

    • Abstract


      6-[(l-methyl-4-nitroimidazol-5-yl)thio] purine, is an immunosuppressant derivative of the antitumour drug, 6-mercaptopurine. Crystals are monoclinic witha = 4.488(2),b = 31.886(4), c = 8.067(2)A and β= 105.99(2)° in the space group P21/c. The crystal structure was solved by direct methods using diffractometer data and refined by least squares to anR- index of 0.065 for 502 observed reflections. The molecule crystallizes in the N(9)-H tautomer form, in contrast to the N(7)-H tautomer form found in crystals of 6-mercaptopurine and assume a conformation in which the substituents on the sulphur atom are directed away from imidazole moiety of the purine

    • Author Affiliations


      K R Acharya1

      1. Physical Chemistry Division, National Chemical Laboratory, Pune - 411 008, India
    • Dates

  • Journal of Chemical Sciences | News

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