Crystal structure of a nucleoside analog: 9-(R)-[6-(R)-hydroxymethyl-1-oxa-4-thiacyclohexan-2-yl] adenine

Autor: S. K. Talapatra, A. Van Aerschot, Nibaran Das, A. K. Das, S. K. Mazumdar
Rok vydání: 1993
Předmět:
Zdroj: Journal of Crystallographic and Spectroscopic Research. 23:177-180
ISSN: 1572-8854
0277-8068
DOI: 10.1007/bf01190043
Popis: The title compound (C10H13N5O2S,Mr=267.3) crystallizes in the orthorhombic space groupP212121 witha=7.579(8),b=7.686(2) andc=20.941(4)A,V=1220(1)A3,Dx=1.456 gm cm−3,Z=4,μ=23.6 cm−1,F(000)=560 andT=293 K. The structure was solved by direct methods and refined to aR value of 0.068 for 776 unique observed reflections. The oxathiane ring adopts a chair conformation. In the crystal structure the molecules are held together by hydrogen bonds and C-H⋯O close contacts.
Databáze: OpenAIRE