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(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.

ABSTRACT: 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.

SUBMITTER: Florke U

PROVIDER: S-EPMC3884313 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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(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.

Flörke Ulrich U Drewes Birte B

Acta crystallographica. Section E, Structure reports online 20131016 Pt 11

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 ea ...[more]

PMID: 24454089

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