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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
- Source :
- Acta Crystallographica Section E, Vol 69, Iss 1, Pp o99-o99 (2013)
- Publication Year :
- 2013
- Publisher :
- International Union of Crystallography, 2013.
-
Abstract
- The title molecule, C21H25NO7, 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.
- Subjects :
- Crystallography
QD901-999
Subjects
Details
- Language :
- English
- ISSN :
- 16005368
- Volume :
- 69
- Issue :
- 1
- Database :
- Directory of Open Access Journals
- Journal :
- Acta Crystallographica Section E
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.02792cc4efd64491819bdbaecffafe0f
- Document Type :
- article
- Full Text :
- https://doi.org/10.1107/S1600536812050581