首页 | 本学科首页   官方微博 | 高级检索  
     


Resolution and Crystal Structure of 9α-(3-Azabicyclo[3,3,1]nonanyl)- 2''-cyclopentyl-2''-hydroxyl-2''-thienylacetate
Authors:LIU He  HAN Xiang-Yu  ZHANG Yan-Ping  ZHONG Bo-Hua  LIU Ke-Liang
Abstract:
The crystal structure of 9α-(3-azabicyclo[3,3,1]nonanyl)-2'-cyclopentyl-2'-hydro-xyl-2'-thienylacetate (C16H27NO3S, Mr = 349.48) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to orthorhombic, space group P212121 with a = 14.937(3), b = 8.1673(16), c = 15.423(3) (A), V = 1881.5(6) (A)3, Z = 4, Dc =1.234 g/cm3, μ = 0.188 mm-1, F(000) = 752, the final R = 0.0468 and wR = 0.1251. The bicyclo[3,3,1]nonane ring system adopts the most favored twin-chair conformation. The crystal structure shows the existence of intramolecular O-H…O hydrogen bonds by which a one-dimensional chain struc- ture is formed.
Keywords:optical resolution  crystal structure  muscarinic receptor antagonist
本文献已被 万方数据 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号