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(1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenyl-eth-yl]deca-hydro-cyclo-hepta-[b]pyrrol-1-ium bromide.

ABSTRACT: The title chiral compound, C(23)H(28)NO(+)·Br(-), was obtained from an optically active amino-ethanol precursor. The pyrrolidine heterocycle has an envelope conformation, with the C atom ?-positioned with respect to the keto group deviating by 0.570?(6)?Å from the mean plane of other atoms. The trans-fused seven-membered ring adopts a pseudo-chair conformation. The two phenyl rings form a dihedral angle of 85.1?(2)°. The cationic center and the bromide anion are connected through an N-H?Br hydrogen bond.

SUBMITTER: Rybakov VB

PROVIDER: S-EPMC3394019 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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(1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenyl-eth-yl]deca-hydro-cyclo-hepta-[b]pyrrol-1-ium bromide.

Rybakov Victor B VB Belov Dmitry S DS Lukyanenko Evgeny R ER Kurkin Alexander V AV Yurovskaya Marina A MA

Acta crystallographica. Section E, Structure reports online 20120627 Pt 7

The title chiral compound, C(23)H(28)NO(+)·Br(-), was obtained from an optically active amino-ethanol precursor. The pyrrolidine heterocycle has an envelope conformation, with the C atom α-positioned with respect to the keto group deviating by 0.570 (6) Å from the mean plane of other atoms. The trans-fused seven-membered ring adopts a pseudo-chair conformation. The two phenyl rings form a dihedral angle of 85.1 (2)°. The cationic center and the bromide anion are connected through an N-H⋯Br hydro ...[more]

PMID: 22798884

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