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8a-Methyl-5,6,8,8a,9,10-hexa-hydro-10,12a-epoxy-isoindolo[1,2-a]isoquinolinium iodide.

ABSTRACT: The title compound, C(17)H(18)NO(+)·I(-), is an adduct resulting from an intra-molecular Diels-Alder reaction of methallyl chloride with 3,4-dihydro-1-furylisoquinoline. The cation comprises a fused penta-cyclic system containing three five-membered rings (dihydro-pyrrole, dihydro-furan and tetra-hydro-furan) and two six-membered rings (tetra-hydro-pyridine and benzene). The five-membered rings have the usual envelope conformations, and the central six-membered tetra-hydro-pyridine ring adopts the unsymmetrical half-boat conformation. In the crystal, cations and iodide anions are bound by weak inter-molecular hydrogen-bonding inter-actions into a three-dimensional framework.

SUBMITTER: Toze FA

PROVIDER: S-EPMC2979642 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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8a-Methyl-5,6,8,8a,9,10-hexa-hydro-10,12a-epoxy-isoindolo[1,2-a]isoquinolinium iodide.

Toze Flavien A A FA Ershova Julya D JD Obushak Mykola D MD Zubkov Fedor I FI Khrustalev Victor N VN

Acta crystallographica. Section E, Structure reports online 20100519 Pt 6

The title compound, C(17)H(18)NO(+)·I(-), is an adduct resulting from an intra-molecular Diels-Alder reaction of methallyl chloride with 3,4-dihydro-1-furylisoquinoline. The cation comprises a fused penta-cyclic system containing three five-membered rings (dihydro-pyrrole, dihydro-furan and tetra-hydro-furan) and two six-membered rings (tetra-hydro-pyridine and benzene). The five-membered rings have the usual envelope conformations, and the central six-membered tetra-hydro-pyridine ring adopts t ...[more]

PMID: 21579469

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