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

By Hugh W. Thompson, Roger A. Lalancette, Andrew P. J. Brunskill and Alan Barcon


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...O = 2.682 (4) Å and O—H...O = 172 (6)°]. 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 overline{1}10 direction, with alignment with respect to this axis of + + − −. Successive chains are rotated by 90° around the c axis. One C—H...O=C close contact, involving the carboxyl group, exists

Topics: Chemistry, QD1-999, Science, Q, DOAJ:Chemistry (General), DOAJ:Chemistry
Publisher: International Union of Crystallography
Year: 2010
DOI identifier: 10.1107/S1600536810036652
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