Resolution and crystal structure of 9α-(3-azabicyclo[3,3,1]nonanyl)-2'-cyclopentyl-2'-hydroxyl-2'-thienylacetate

被引：0

作者：

Liu He ^{[1
]}

Han Xiang-Yu ^{[1
]}

Zhang Yan-Ping ^{[1
]}

Zhong Bo-Hua ^{[1
]}

Liu Ke-Liang ^{[1
]}

机构：

[1] Beijing Inst Pharmacol & Toxicol, Beijing 100850, Peoples R China

来源：

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 2006年 / 25卷 / 05期

关键词：

optical resolution; crystal structure; muscarinic receptor antagonist;

D O I：

暂无

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The crystal structure of 9 alpha-(3-azabicyclo[3,3,1]nonanyl)-2'-cyclopentyl-2'-hydroxyl-2'-thienylacetate (C16H27NO3S, M-r = 349.48) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to orthorhombic, space group P2(1)2(1)2(1) with a 14.937(3), b = 8.1673(16), c = 15.423(3) angstrom, V = 1881.5(6) angstrom(3), Z = 4, D-c = 1.234 g/cm(3), mu = 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-(HO)-O-... hydrogen bonds by which a one-dimensional chain structure is formed.

引用

页码：547 / 551

页数：5

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