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Diethyl 1,8-diphenyl-11-oxatricyclo-[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxyl-ate.

ABSTRACT: The title compound, C28H26O5, is the Diels-Alder adduct from 1,3-diphenyl-benzo[c]furan and diethyl maleate. The mol-ecule comprises of a fused tricyclic system containing two five-membered rings, which are in envelope conformations with the O atom at the flap, and a six-membered ring adopting a boat conformation. The dihedral angle between phenyl substituents in the 1,8-positions is 55.1?(1)°. The ethyl groups are disordered over two sets of sites, with occupancy ratios of 0.648?(9):0.352?(9) and 0.816?(1):0.184?(1). In the crystal, pairs of C-H?? inter-actions link the mol-ecules into inversion dimers.

SUBMITTER: Balakrishnan B

PROVIDER: S-EPMC3588525 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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Diethyl 1,8-diphenyl-11-oxatricyclo-[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxyl-ate.

Balakrishnan B B Nandakumar Meganathan M Seshadri P R PR Mohanakrishnan Arasambattu K AK

Acta crystallographica. Section E, Structure reports online 20130202 Pt 3

The title compound, C28H26O5, is the Diels-Alder adduct from 1,3-diphenyl-benzo[c]furan and diethyl maleate. The mol-ecule comprises of a fused tricyclic system containing two five-membered rings, which are in envelope conformations with the O atom at the flap, and a six-membered ring adopting a boat conformation. The dihedral angle between phenyl substituents in the 1,8-positions is 55.1 (1)°. The ethyl groups are disordered over two sets of sites, with occupancy ratios of 0.648 (9):0.352 (9) a ...[more]

PMID: 23476521

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