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rac-Ethyl 2-hy­droxy-2,7,7-trimethyl-4-(4-nitro­phen­yl)-5-oxo-3,4,5,6,7,8-hexa­hydro-2H-chromene-3-carboxyl­ate

The title mol­ecule, C(21)H(25)NO(7), has four stereogenic centres and crystallized as a racemate. It consists of enanti­omeric pairs with the relative configuration rac-(1R*,2S*,3R*). The cyclo­hexenone ring adopts an envelope conformation; the dimethyl-substituted C atom lies 0.640 (1) Å out of th...

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Detalles Bibliográficos
Autores principales: Maharramov, Abel M., Ismiev, Arif I., Rashidov, Bahruz A., Askerov, Rizvan K., Potekhin, Konstantin A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588292/
https://www.ncbi.nlm.nih.gov/pubmed/23476478
http://dx.doi.org/10.1107/S1600536812050581
Descripción
Sumario:The title mol­ecule, C(21)H(25)NO(7), has four stereogenic centres and crystallized as a racemate. It consists of enanti­omeric pairs with the relative configuration rac-(1R*,2S*,3R*). The cyclo­hexenone ring adopts an envelope conformation; the dimethyl-substituted C atom lies 0.640 (1) Å out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.016 Å). The oxacyclo­hexene ring adopts a half-chair conformation, the hy­droxy- and carboxyl-substituted C atoms lying −0.336 (1) and 0.419 (1) Å, respectively, out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.002 Å). In the crystal, O—H⋯O hydrogen bonds link the mol­ecules into a chain along the c-axis direction.