organic compounds
The bicyclo[2.2.2] octane cage in (2R,3S)-3-benzamido-3-methoxycarbonylbicyclo[2.2.2]octane-2-carboxylic acid, C18H21NO5, has approximate D3 symmetry and the three six-membered rings of this fragment all deviate slightly from ideal boat conformations. The values determined for the torsion angles about the N—Cα(φ) and Cα—CO(ψ) bonds correspond to a semi-extended conformation for the amino acid residue. The crystal structure is stabilized by two intermolecular hydrogen bonds (O—HO and N—HO) involving the carboxylic acid, the benzamido and the methyl ester groups.
Supporting information
Crystallographic Information File (CIF) | |
Structure factor file (CIF format) |
CCDC reference: 127204