Structure of 2′,3′-0-Isopropylidene-6-cyanouridine

Abstract

The crystal and molecular structure of the title compound has been determined by the X-ray diffraction method. Crystals belong to the orthorhombic space group P2₁2₁2₁ and the cell dimensions are a=7.832(1), b=20.466(2) and c=9.159(1) Å. The structure was solved by direct methods and refined by the full matrix least-squares method to R=0.070. The conformation about the glycosidic bond is syn probably because of the steric hindrance between the sugar moiety and the cyano group at the C(6) position of the base. The sugar puckering is C(4′)-exo, and the orientation of C(5′)-0(5′) bond is gauche-trans.