Yu Jian-Bing, Chen Shuang-Wei, Zheng Guo-Rong, Dai Li-Yan
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 31;64(Pt 8):o1653. doi: 10.1107/S1600536808023532.
(RS)-(±)-2-Methoxy-carbonyl-3-tropinone is an important inter-mediate for the preparation of cocaine and its derivatives. The molecule in the title compound, C(10)H(16)NO(3) (+)·C(4)H(5)O(6) (-), is present as the enol tautomer. The six-membered ring adopts a half boat conformation, and the five-membered ring a slightly distorted envelope conformation. There are intra- and inter-molecular hydrogen bonds involving the hydroxyl, carboxyl groups and quaternary ammonium groups.
(RS)-(±)-2-甲氧基羰基-3-托品酮是制备可卡因及其衍生物的重要中间体。标题化合物C(10)H(16)NO(3) (+)·C(4)H(5)O(6) (-)中的分子以烯醇互变异构体形式存在。六元环呈半船式构象,五元环呈轻微扭曲的信封式构象。存在涉及羟基、羧基和季铵基团的分子内和分子间氢键。