9-(1,3-anhydro-beta-D-psicofuranosyl)adenine

Abstract

In the structure of the title compound, C11H13N5O4, the glycosidic torsion angle, (chi), is. 107.1 (2)degrees [nucleic acid nomenclature used throughout the manuscript; IUPAC-IUB Joint Commision on Biochemical Nomenclature (1983). Eur. J. Biochem. 131, 9-15], indicating the anti conformation. The furanosyl ring adopts an N-type sugar pucker with the following pseudorotational parameters: P-N = 50.5 (2)degrees and nu(max) = 34.9 (1)degrees. The conformation around the C5'-C6' bond is ap (gauche, trans; gt; -g), with a torsion angle gamma of 176.28 (19)degrees. The 1',2'-oxetane ring is not planar but folded along C3'(...)C1', with an angle of 9.6 (1)degrees.