Crystal structure of 6-[(1-methyl-4-nitroimidazol-5-yl)thio] purine |
| |
Authors: | K R Acharya |
| |
Institution: | (1) Physical Chemistry Division, National Chemical Laboratory, 411 008 Pune, India |
| |
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
NCL Communication number 3313 |
| |
Keywords: | Mercaptopurine crystal structure direct methods immunosuppressor |
本文献已被 SpringerLink 等数据库收录! |
|