（2R，3R，4S，5R）-2-（4-氨基-5-碘-7H-吡咯并[2,3-d]嘧啶-7-基）-5-甲基四氢呋喃-3,4-二醇
(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.
作者信息
Flörke Ulrich, Drewes Birte
机构信息
Department Chemie, Fakultät für Naturwissenschaften, Universität Paderborn, Warburgerstrasse 100, D-33098 Paderborn, Germany.
Institut für Neurowissenschaften und Medizin, Nuklearchemie (INM-5), Forschungszentrum Jülich GmbH, D-52428 Jülich, Germany.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Oct 16;69(Pt 11):o1646-7. doi: 10.1107/S1600536813027931.
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.
标题化合物C₁₁H₁₃IN₄O₃的分子结构显示，呋喃核糖基-吡咯的O-C-N-C扭转角为59.1 (3)°，中心C-N键长为1.446 (3) Å。C-I键长为2.072 (2) Å。氨基与相连的芳香环共面[C-N-C-N扭转角 = -178.8 (2)°]，并形成分子内N-H⋯I氢键。在晶体中，O-H⋯N和N-H⋯O氢键将分子连接成平行于(001)的褶皱层。这些层通过次级I⋯O相互作用[3.2250 (17) Å]相互结合，形成三维框架。
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