（2RS，8aRS）-6-氧代-1,2,3,4,6,7,8,8a-八氢萘-2-羧酸
(2RS,8aRS)-6-Oxo-1,2,3,4,6,7,8,8a-octa-hydro-naphthalene-2-carboxylic acid.
作者信息
Efthimiopoulos Georgia, Lalancette Roger A, Thompson Hugh W
机构信息
Carl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University, Newark, NJ 07102, USA.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2292. doi: 10.1107/S1600536808035691.
Abstract
The title racemate, C(11)H(14)O(3), aggregates in the crystal structure as acid-to-ketone O-H⋯O hydrogen-bonding catemers whose components are glide-related. The relative stereochemistry at the carboxyl group arises spontaneously during the synthesis. Two inter-molecular C-H⋯O=C close contacts were found, both involving the acid group.
摘要
标题外消旋体C(11)H(14)O(3)在晶体结构中通过酸到酮的O-H⋯O氢键形成链状缔合体，其组分通过滑移相关。羧基处的相对立体化学在合成过程中自发产生。发现了两个分子间C-H⋯O=C紧密接触，均涉及酸基团。
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