The Crystal and Molecular Structure of 6-Methylmercaptopurine Riboside Monohydrate.
- 1 January 1976
- journal article
- research article
- Published by Danish Chemical Society in Acta Chemica Scandinavica
- Vol. 30b (8) , 716-720
- https://doi.org/10.3891/acta.chem.scand.30b-0716
Abstract
The crystal structure of the antitumor agent 6-methylmercaptopurine riboside monohydrate was determined by X-ray diffraction methods using 3988 observed reflections collected on a counter diffractometer. The crystals are monoclinic, space group P21, with cell dimensions a = 7.912(2) .ANG.; b = 18.120(1) .ANG.; c = 4.848(1) .ANG.; .beta. = 105.70(2).degree.. The structure was refined to a conventional R-factor of 0.040, the SD in bond lengths and angles involving nonhydrogen atoms are 0.002 .ANG. and 0.1.degree., respectively. The molecular and crystal structure is discussed and the results are compared to those obtained from magnetic resonance experiments.This publication has 1 reference indexed in Scilit:
- Stereochemistry of nucleic acid constituentsJournal of Molecular Biology, 1965