(2R,3R,4S,5R)-2-(4-Amino-5-iodo-7H-pyrrolo-[2,3-d]pyrimidin-7-yl)-5-methyl-tetra-hydro-furan-3,4-diol.
The mol-ecular structure of the title compound, C11H13IN4O3, shows a ribo-furanos-yl-pyrrolo O-C-N-C torsion angle of 59.1 (3)°, with the central C-N bond length being 1.446 (3) Å. The C-I bond length is 2.072 (2) Å. The amino group is coplanar with the attached aromatic ring [C-N-C-N torsion angle = -178.8 (2)°] and forms an intra-molecular N-H⋯I hydrogen bond. In the crystal, O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules into puckered layers parallel to (001). These layers are bound to each other by secondary I⋯O inter-actions [3.2250 (17) Å], forming a three-dimensional framework.
Department Chemie, Fakultät für Naturwissenschaften, Universität Paderborn, Warburgerstrasse 100, D-33098 Paderborn, Germany.
Ulrich
U
Flörke
Institut für Neurowissenschaften und Medizin, Nuklearchemie (INM-5), Forschungszentrum Jülich GmbH, D-52428 Jülich, Germany.
Birte
B
Drewes