Zhou Xiao-Liang, Wang Hao, Wang Yan, Shi Pei-Ji
Institute of Radiation Medicine, Peking Union Medical College & Chinese Academy of Medical Sciences, Tianjin 300192, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3101. doi: 10.1107/S1600536811043881. Epub 2011 Oct 29.
In the title compound {systematic name: N-[(4R,5R)-3,11-dioxo-10-oxa-6-thia-2-aza-tricyclo-[6.3.0.0(2,5)]undec-1(8)-en-4-yl]-2-phenyl-acetamide}, C(16)H(14)N(2)O(4)S, the four- and five-membered rings adopt planar conformations (with r.m.s. deviations of 0.0349 and 0.0108 Å respectively) while the six-membered ring adopts a half-chair, or envelope-like, conformation with the S atom in the flap position. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds.
在标题化合物{系统名称:N - [(4R,5R)-3,11 - 二氧代 - 10 - 氧杂 - 6 - 硫杂 - 2 - 氮杂三环 - [6.3.0.0(2,5)]十一碳 - 1(8) - 烯 - 4 - 基] - 2 - 苯基乙酰胺},C(16)H(14)N(2)O(4)S中,四元环和五元环呈平面构象(均方根偏差分别为0.0349和0.0108 Å),而六元环呈半椅式或类似信封的构象,S原子位于翼片位置。在晶体中,分子通过N - H⋯O氢键相连。