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外消旋-9-羟基-9-甲基-7-苯基-1,4-二氮杂螺[4.5]癸烷-6,8-二羧酸二乙酯

rac-Diethyl 9-hy-droxy-9-methyl-7-phenyl-1,4-diaza-spiro-[4.5]decane-6,8-dicarboxyl-ate.

作者信息

Maharramov Abel M, Ismiyev Arif I, Rashidov Bahruz A, Rahimova Gunel M, Allahverdiyev Mirza A

机构信息

Baku State University, Z. Khalilov St. 23, Baku, AZ-1148, Azerbaijan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 8;67(Pt 2):o291. doi: 10.1107/S1600536810054498.

DOI:10.1107/S1600536810054498
PMID:21522983
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3051672/
Abstract

The title mol-ecule, C(21)H(30)N(2)O(5), is chiral with four stereogenic centres. The crystal is a racemate and consists of enanti-omeric pairs with the relative configuration rac-(6S*,7R*,8R*,9S*). The ethyl fragment of the eth-oxy-carbonyl group at position 6 is disordered in a 0.46 (3):0.54 (3) ratio. The crystal structure features inter-molecular N-H⋯O. Intra-molecular O-H⋯N and N-H⋯O hydrogen bonds also occur.

摘要

标题分子C(21)H(30)N(2)O(5)具有四个手性中心,呈手性。该晶体为外消旋体,由相对构型为rac-(6S*,7R*,8R*,9S*)的对映体对组成。6位乙氧羰基的乙基片段以0.46 (3):0.54 (3)的比例无序排列。晶体结构具有分子间N-H⋯O氢键。还存在分子内O-H⋯N和N-H⋯O氢键。

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