4-Ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone

Autor:	Héctor Ríos-Olivares, Federico Jiménez-Cruz, Manuel F. Rubio-Arroyo, Simón Hernández-Ortega
Rok vydání:	2001
Předmět:	chemistry.chemical_classification Ketone Hydrogen bond Stereochemistry Intermolecular force Cyclohexane conformation General Medicine Crystal structure Ring (chemistry) General Biochemistry Genetics and Molecular Biology Hexane chemistry.chemical_compound chemistry Molecule
Zdroj:	Acta Crystallographica Section C Crystal Structure Communications. 57:425-427
ISSN:	0108-2701
DOI:	10.1107/s0108270100020461
Popis:	The title compound, ethyl 2-hydroxy-4-oxo-2-phenylcyclohexanecarboxylate, C(15)H(18)O(4), 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 beta-axial, beta-equatorial and alpha-equatorial configurations, respectively. An intermolecular hydrogen bond, with an O.O distance of 2.874 (2) A, 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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::567eda1e1f6dead7ed647a0890d9df5d https://doi.org/10.1107/s0108270100020461 Zobrazit plný text záznamu Plný text