4-Oxocyclohexaneacetic acid: catemeric hydrogen bonding and spontaneous resolution of a single conformational enantiomer in an achiral ε-keto acid

被引：0
|
作者：
Barcon, Alan [1 ]
Brunskill, Andrew P. J. [1 ]
Lalancette, Roger A. [1 ]
Thompson, Hugh W. [1 ]
机构：
[1] Rutgers State Univ, Dept Chem, Carl A Olson Mem Labs, Newark, NJ 07102 USA
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷
关键词：
D O I：
10.1107/S1600536810036652
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The asymmetric unit of the title compound, C8H12O3, consists of a single conformational enantiomer, which aggregates in the catemeric acid-to-ketone hydrogen-bonding mode [O center dot center dot center dot O = 2.682 (4) angstrom and O-H center dot center dot center dot O = 172 (6)degrees]. Four hydrogen-bonding chains of translationally related molecules pass through the cell orthogonal to the 43 screw axis along c, alternating in the 110 and the 110 direction, with alignment with respect to this axis of + + - -. Successive chains are rotated by 90 degrees around the c axis. One C-H center dot center dot center dot O=C close contact, involving the carboxyl group, exists.
引用
收藏
页码：O2576 / U606
页数：10
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