Seela Frank, Ming Xin, Budow Simone, Eickmeier Henning, Reuter Hans
Laboratorium für Organische und Bioorganische Chemie, Institut für Chemie, Universität Osnabrück, Barbarastrasse 7, 49069 Osnabrück, Germany.
Acta Crystallogr C. 2007 Sep;63(Pt 9):o549-51. doi: 10.1107/S010827010703750X. Epub 2007 Aug 17.
The title compound [systematic name: 5-amino-3-(2-deoxy-beta-D-erythro-pentofuranosyl)thiazolo[4,5-d]pyrimidine-2,7-(3H,6H)-dione], C(10)H(12)N(4)O(5)S, exhibits a syn glycosylic bond conformation, with a torsion angle chi of 61.0 (3) degrees. The furanose moiety adopts the N-type sugar pucker ((3)T4), with P = 33.0 (5) degrees and tau(m) = 15.1 (1) degrees. The conformation at the exocyclic C4'-C5' bond is +ap (trans), with the torsion angle gamma = 176.71 (14) degrees. The extended structure is a three-dimensional hydrogen-bond network involving O-H...O and N-H...O hydrogen bonds.
标题化合物[系统名称:5-氨基-3-(2-脱氧-β-D-赤藓糖基)噻唑并[4,5-d]嘧啶-2,7-(3H,6H)-二酮],C(10)H(12)N(4)O(5)S,呈现出顺式糖苷键构象,扭转角χ为61.0 (3)°。呋喃糖部分采用N型糖环构象((3)T4),P = 33.0 (5)°,τ(m) = 15.1 (1)°。环外C4'-C5'键的构象为+ap(反式),扭转角γ = 176.71 (14)°。扩展结构是一个涉及O-H...O和N-H...O氢键的三维氢键网络。