The Crystal and Molecular Strucure of Arabinofuranosyladenine Hydrochloride

Autor: Hata, Tadashi, Sato, Sadao, Kaneko, Masakatsu, Shimizu, Bunji, Tamura, Chihiro
Zdroj: Bulletin of the Chemical Society of Japan; November 1974, Vol. 47 Issue: 11 p2758-2763, 6p
Abstrakt: Crystals of arabinofuranosyladenine hydrochloride are monoclinic, space group P21with a=6.47, b=15.56, c=6.87 Å, and ß=111.6°. Intensity data were collected on a four-circle diffractometer with Mo-Ka radiation. The structure was solved by means of Patterson and Fourier methods and refined using block-diagonal least-squares technique. The final R-factor for 1681 observed reflections is 4.5%. The sugar conformation is C3'-endoand the C(5')–O(5') bond is gaucheto both C(4')–O(1') and C(4')–C(3'). The torsional angle about the glycosidic C–N bond is anti, with ?CN=29.3°. The hydrogen-bond scheme is similar to those found in several salts of nucleosides and deoxynucleosides.
Databáze: Supplemental Index