A NEW CONFORMATIONALLY RESTRICTED ASPARTIC-ACID ANALOG WITH A CYCLOHEXANONE SKELETON

Authors
BUNUEL E CATIVIELA C DIAZDEVILLEGAS MD GALVEZ JA
Citation
E. Bunuel et al., A NEW CONFORMATIONALLY RESTRICTED ASPARTIC-ACID ANALOG WITH A CYCLOHEXANONE SKELETON, Acta crystallographica. Section C, Crystal structure communications, 52, 1996, pp. 2641-2644
Citations number
16
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
52
Year of publication
1996
Part
10
Pages
2641 - 2644
Database
ISI
SICI code
0108-2701(1996)52:<2641:ANCRAA>2.0.ZU;2-9
Abstract
In the compound (1R, do-2-methoxycarbonyl-5-oxocyclohexane-1-carboxyli c acid, C16H17NO6, the cyclohexanone ring adopts a distorted chair con formation. The carboxylic acid and the methyl ester groups occupy the axial positions, while the benzamido group is equatorial. The values d etermined for the torsion angles about the N-C-alpha(phi) and C-alpha- CO(psi) bonds correspond to a semi-extended conformation for the amino acid residue. The crystal structure is stabilized by two intermolecul ar hydrogen bonds (O-H ... O and N-H ... O) involving the carboxylic a cid, the benzamido and the methyl eater groups.