8-氯-5-(4-苯乙基哌嗪-1-基)吡啶并[2,3-b][1,5]苯并二氮杂䓬
8-Chloro-5-(4-phenethylpiperazin-1--yl)pyrido[2,3-b][1,5]benzoxazepine.
作者信息
Capuano Ben, Crosby Ian T, Forsyth Craig M, Lloyd Edward J, Vom Amelia, Yuriev Elizabeth
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 6;64(Pt 10):o1865-6. doi: 10.1107/S1600536808027062.
Abstract
As part of an anti-psychotic drug discovery program, we report the crystal structure of the title compound, C(24)H(23)ClN(4)O. The mol-ecule has a tricyclic framework with a characteristic buckled V-shaped pyridobenzoxazepine unit, with the central seven-membered heterocycle in a boat configuration. The piperazine ring displays a chair conformation with the 2-phenyl-ethyl substituent assuming an equatorial orientation. There are two crystallographically independent, but virtually identical, mol-ecules in the asymmetric unit.
摘要
作为一项抗精神病药物发现计划的一部分，我们报道了标题化合物C(24)H(23)ClN(4)O的晶体结构。该分子具有一个三环骨架，带有一个特征性的弯曲V形吡啶并苯并恶氮杂卓单元，中心的七元杂环呈船式构象。哌嗪环呈椅式构象，2-苯基乙基取代基处于平伏取向。不对称单元中有两个晶体学独立但几乎相同的分子。
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