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(1R*,2R*,3S*,4R*)-Diethyl 4-hydroxy-4-methyl-2-(4-methylphenyl)-6-oxocyclohexane-1,3-dicarboxylate
The title compound, C(20)H(26)O(6), is chiral and crystallizes as a racemate: the relative configuration of the stereogenic centres is 1R*,2R*,3S*,4R*. The cyclohexane ring has a chair conformation. The ethyl fragment of the ethoxycarbonyl group in the 3-position is disordered over two sets of si...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648266/ https://www.ncbi.nlm.nih.gov/pubmed/23723886 http://dx.doi.org/10.1107/S1600536813009872 |
Sumario: | The title compound, C(20)H(26)O(6), is chiral and crystallizes as a racemate: the relative configuration of the stereogenic centres is 1R*,2R*,3S*,4R*. The cyclohexane ring has a chair conformation. The ethyl fragment of the ethoxycarbonyl group in the 3-position is disordered over two sets of sites in a 0.650 (6):0.350 (6) ratio. The hydroxy group acts as a bifurcated hydrogen-bond donor, forming both intra- and intermolecular hydrogen bonds with ester carbonyl O atoms. The intermolecular hydrogen bonds form inversion dimers in the crystal. |
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