4-ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone

Citation
S. Hernandez-ortega et al., 4-ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone, ACT CRYST C, 57, 2001, pp. 425-427
Citations number
13
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
01082701 → ACNP
Volume
57
Year of publication
2001
Part
4
Pages
425 - 427
Database
ISI
SICI code
0108-2701(20010415)57:<425:4>2.0.ZU;2-Z
Abstract
The title compound, ethyl 2-hydroxy-4-oxo-2-phenylcyclohexanecarboxylate, C 15H18O4, was obtained by a Michael-Aldol condensation and has the cyclohexa none in a chair conformation. The attached hydroxy, ethoxycarbonyl and phen yl groups are disposed in fi-axial, fi-equatorial and alpha -equatorial con figurations, respectively. An intermolecular hydrogen bond, with an O . . . O distance of 2.874 (2) Angstrom, links the OH group and the ring carbonyl. Weak intermolecular C-H . . .O=C (ester and ketone), O-H . . .O=C (ketone) and C-H . . . OH hydrogen bonds exist.