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

Research output: Contribution to journalArticle

Abstract

6-[(l-methyl-4-nitroimidazol-5-yl)thio] purine, is an immunosuppressant derivative of the antitumour drug, 6-mercaptopurine. Crystals are monoclinic with a = 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 an R- 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

Original languageEnglish
Pages (from-to)183-187
Number of pages5
JournalProceedings of the Indian Academy of Sciences - Chemical Sciences
Volume93
Issue number2
DOIs
Publication statusPublished - 1 Mar 1984

Keywords

  • crystal structure
  • direct methods
  • immunosuppressor
  • Mercaptopurine

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Crystal structure of 6-[(1-methyl-4-nitroimidazol-5-yl)thio] purine. / Acharya, K. R.

In: Proceedings of the Indian Academy of Sciences - Chemical Sciences, Vol. 93, No. 2, 01.03.1984, p. 183-187.

Research output: Contribution to journalArticle

@article{1c2b2c53f6a443dfa0d71fb7091ecf2e,
title = "Crystal structure of 6-[(1-methyl-4-nitroimidazol-5-yl)thio] purine",
abstract = "6-[(l-methyl-4-nitroimidazol-5-yl)thio] purine, is an immunosuppressant derivative of the antitumour drug, 6-mercaptopurine. Crystals are monoclinic with a = 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 an R- 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",
keywords = "crystal structure, direct methods, immunosuppressor, Mercaptopurine",
author = "Acharya, {K. R.}",
year = "1984",
month = "3",
day = "1",
doi = "10.1007/BF02842141",
language = "English",
volume = "93",
pages = "183--187",
journal = "Journal of Chemical Sciences",
issn = "0974-3626",
publisher = "Indian Academy of Sciences",
number = "2",

}

TY - JOUR

T1 - Crystal structure of 6-[(1-methyl-4-nitroimidazol-5-yl)thio] purine

AU - Acharya, K. R.

PY - 1984/3/1

Y1 - 1984/3/1

N2 - 6-[(l-methyl-4-nitroimidazol-5-yl)thio] purine, is an immunosuppressant derivative of the antitumour drug, 6-mercaptopurine. Crystals are monoclinic with a = 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 an R- 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

AB - 6-[(l-methyl-4-nitroimidazol-5-yl)thio] purine, is an immunosuppressant derivative of the antitumour drug, 6-mercaptopurine. Crystals are monoclinic with a = 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 an R- 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

KW - crystal structure

KW - direct methods

KW - immunosuppressor

KW - Mercaptopurine

UR - http://www.scopus.com/inward/record.url?scp=51249179735&partnerID=8YFLogxK

U2 - 10.1007/BF02842141

DO - 10.1007/BF02842141

M3 - Article

VL - 93

SP - 183

EP - 187

JO - Journal of Chemical Sciences

JF - Journal of Chemical Sciences

SN - 0974-3626

IS - 2

ER -