4-Ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone

The title compound, ethyl 2‐hydroxy‐4‐oxo‐2‐phenyl­cyclo­hexane­carboxyl­ate, C15H18O4, was obtained by a Michael–Aldol condensation and has the cyclo­hexanone in a chair conformation. The attached hydroxy, ethoxy­carbonyl and phenyl groups are disposed in β‐axial, β‐equatorial and α‐­equatorial con...

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Bibliographic Details
Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2001-04, Vol.57 (4), p.425-427
Main Authors: Hernández-Ortega, Simón, Jiménez-Cruz, Federico, Ríos-Olivares, Héctor, Rubio-Arroyo, Manuel
Format: Article
Language:English
Subjects:
Aliphatic, non-condensed and condensed benzenic, and alicyclic compounds
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Organic compounds
Physics
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
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Summary:The title compound, ethyl 2‐hydroxy‐4‐oxo‐2‐phenyl­cyclo­hexane­carboxyl­ate, C15H18O4, was obtained by a Michael–Aldol condensation and has the cyclo­hexanone in a chair conformation. The attached hydroxy, ethoxy­carbonyl and phenyl groups are disposed in β‐axial, β‐equatorial and α‐­equatorial configurations, respectively. An intermolecular hydrogen bond, with an O⃛O distance of 2.874 (2) Å, links the OH group and the ring carbonyl. Weak intermolecular C—H⃛O=C (ester and ketone), O—H⃛O=C (ketone) and C—H⃛OH hydrogen bonds exist.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270100020461