Acta Cryst. (2002). C58, o154-o156 [doi:10.1107/S0108270101020595]
)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acidsAbstract: The crystal structures for the title compounds reveal fundamentally different hydrogen-bonding patterns. (
)-3-Oxocyclohexanecarboxylic acid, C7H10O3, displays acid-to-ketone catemers having a glide relationship for successive components of the hydrogen-bonding chains which advance simultaneously by two cells in a and one in c [O
O = 2.683 (3) Å and O-HO = 166°]. A pair of intermolecular close contacts exists involving the acid carbonyl group. The asymmetric unit in ()-3-oxocyclohexaneacetic acid, C8H12O3, utilizes only one of two available isoenthalpic conformers and its aggregation involves mutual hydrogen bonding by centrosymmetric carboxyl dimerization [OO = 2.648 (3) Å and O-HO = 171°]. Intermolecular close contacts exist for both the ketone and the acid carbonyl group.
Formula: C7H10O3 and C8H12O3
Online 13 February 2002
 |   Structure factor file (CIF format) (65.0 kbytes) |
| Structure factor file (CIF format) (71.4 kbytes) |
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