7-Deaza-2'-deoxyisoguanosine adopts the form of an N1–-H,2-keto tautomer

Abstract

The structure of the title hydrate [4-amino-7-(2-deoxy-β-D-erythro-pentofuranosyl)-3,7-dihydro-2H-pyrrolo-[2,3-d]pyrimidin-2-one hydrate, C 11 H 14 N 4 O 4 .H 2 O], an analogue of 2'-deoxyisoguanosine, was determined by single-crystal X-ray diffraction. The glycosylic torsion angle [X = -118.3(3)°] is in the anti conformation range and the sugar ring adopts a Cl'-exo pucker. The molecule shows the N1-H,2-keto-6-amino tautomeric form in the solid state.