Skórska-Stania Agnieszka, Jezierska-Zięba Magdalena, Kąkol Barbara, Fedoryński Michał, Oleksyn Barbara J
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2803-4. doi: 10.1107/S160053681203646X. Epub 2012 Aug 31.
The title compound {systematic name: 1-(2-bromo-benz-yl)-5-ethenyl-2-[hy-droxy(quinolin-4-yl)meth-yl]-1-aza-bicyclo-[2.2.2]octan-1-ium bromide}, C(26)H(28)BrN(2)O(+)·Br(-), is a chiral quater-nary ammonium salt of one of the Cinchona alkaloids. The planes of the quinoline and of the bromo-benzyl substituent are inclined to one another by 9.11 (9)°. A weak intra-molecular C-H⋯O hydrogen bond occurs. The crystal structure features strong O-H⋯Br hydrogen bonds and weak C-H⋯Br inter-actions.
标题化合物{系统名称:1-(2-溴苄基)-5-乙烯基-2-[羟基(喹啉-4-基)甲基]-1-氮杂双环[2.2.2]辛烷-1-鎓溴化物},C(26)H(28)BrN(2)O(+)·Br(-),是一种金鸡纳生物碱的手性季铵盐。喹啉平面与溴苄基取代基平面相互倾斜9.11 (9)°。存在一个弱的分子内C-H⋯O氢键。晶体结构具有强的O-H⋯Br氢键和弱的C-H⋯Br相互作用。