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(4R,4aR,7aS*)-5-Oxo-6-phenyl-4a,5,6,7,7a,8-hexa-hydro-4H-furo[2,3-f]isoindole-4-carb-oxy-lic acid.

ABSTRACT: The asymmetric unit of the title compound, C(17)H(15)NO(4), contains two independent mol-ecules with similar geometric parameters. In both mol-ecules, the conformation of the cyclo-hexene ring is half-chair, while the pyrrolidinone ring adopts an envelope conformation with the ?-carbon atom of the ?-pyrrolidinone ring as the flap. In the crystal, O-H?O hydrogen bonds between the carb-oxylic and carbonyl groups link alternate independent mol-ecules into chains propagating in the b-axis direction. The crystal packing also features weak C-H?? inter-actions.

SUBMITTER: Horak YI

PROVIDER: S-EPMC3569801 | biostudies-other | 2013 Feb

REPOSITORIES: biostudies-other

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(4R,4aR,7aS*)-5-Oxo-6-phenyl-4a,5,6,7,7a,8-hexa-hydro-4H-furo[2,3-f]isoindole-4-carb-oxy-lic acid.

Horak Yuriy I YI Lytvyn Roman Z RZ Zubkov Fedor I FI Nikitina Eugeniya V EV Homza Yuriy V YV Lis Tadeusz T Kinzhybalo Vasyl V Obushak Mykola D MD

Acta crystallographica. Section E, Structure reports online 20130123 Pt 2

The asymmetric unit of the title compound, C(17)H(15)NO(4), contains two independent mol-ecules with similar geometric parameters. In both mol-ecules, the conformation of the cyclo-hexene ring is half-chair, while the pyrrolidinone ring adopts an envelope conformation with the γ-carbon atom of the α-pyrrolidinone ring as the flap. In the crystal, O-H⋯O hydrogen bonds between the carb-oxylic and carbonyl groups link alternate independent mol-ecules into chains propagating in the b-axis direction. ...[more]

PMID: 23424547

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