[X-ray study of an antiviral agent (S)-9-(2,3-dihydroxypropyl)adenine]

The molecular and crystal structures of the antiviral compound, (S)-9-(2,3-dihydroxypropyl)adenine, was established. The space group is P21, unit-cell parameters a 5,546(1), b 8,381(1), c 10,119(1), beta 91,979(9) degrees, Z2. The structure was solved by the direct method and refined by a full-matrix least-squares procedure to R 4,2%. All non-hydrogen atoms of this compound are concentrated in two planes. The first one involves the atoms of the purine moiety and N(6) and C(1'), while the second one accommodates C(2'), C(3'), O(2') and O(3'). The angle between these planes is 54,3 degrees. The conformation of the compound in crystal was compared with that deduced from theoretical analysis.