Li Wei, Yang Ruchun, Xiao Qiang
Jiangxi Key Laboratory of Organic Chemistry, Jiangxi Science & Technology Normal University, Nanchang 330013, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 8;70(Pt 2):o120. doi: 10.1107/S1600536813034995. eCollection 2014 Feb 1.
The title compound, C11H12FIN4O3, is composed of a 7-carbapurine moiety connected via an N atom to 2-de-oxy-2-fluoro-β-d-ribose. The conformation about the N-glycosydic bond is -anti with χ = -129.0 (11)°. The glycosydic N-C bond length is 1.435 (14) Å. The sugar ring adopts an Nconformation with an unsymmetrical twist O-endo-C-exo ((o)T4). The conformation around the C-C bond is +sc, with a torsion angle of 53.0 (12)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming chains propagating along the a axis. These chains are linked via O-H⋯I and C-H⋯O hydrogen bonds, forming layers lying parallel to the c axis.
标题化合物C₁₁H₁₂FIN₄O₃由一个7-碳嘌呤部分通过一个氮原子与2-脱氧-2-氟-β-D-核糖相连组成。N-糖苷键的构象为反式，χ = -129.0 (11)°。糖苷氮-碳键长为1.435 (14) Å。糖环采用具有不对称扭转O-内-C-外((o)T4)的N构象。C-C键周围的构象为+sc，扭转角为53.0 (12)°。在晶体中，分子通过N-H⋯O氢键相连，形成沿a轴延伸的链。这些链通过O-H⋯I和C-H⋯O氢键相连，形成平行于c轴的层。
