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1-(2-Fluoro-phen-yl)-6,7-dimethoxy-isochroman.

ABSTRACT: In the title compound, C(17)H(17)FO(3), the benzene ring of the isochroman unit is inclined at 84.96 (7)° to the fluoro-benzene ring plane, and the pyran ring adopts a half-boat conformation. In the crystal structure, C-H⋯O hydrogen bonds link mol-ecules into rows along the c axis, while C-H⋯O inter-actions and C-H⋯F hydrogen bonds to the fluorine acceptor stack the mol-ecules down the b axis. In addition, the crystal structure exhibits a weak C-H⋯π inter-action between a methyl H atom of the meth-oxy group and the dimethoxy-benzene ring of an adjacent mol-ecule.

SUBMITTER: Saeed A

PROVIDER: S-EPMC2969092 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

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1-(2-Fluoro-phen-yl)-6,7-dimethoxy-isochroman.

Saeed Aamer A Simpson Jim J Stanley Roderick G RG

Acta crystallographica. Section E, Structure reports online 20090325 Pt 4

In the title compound, C(17)H(17)FO(3), the benzene ring of the isochroman unit is inclined at 84.96 (7)° to the fluoro-benzene ring plane, and the pyran ring adopts a half-boat conformation. In the crystal structure, C-H⋯O hydrogen bonds link mol-ecules into rows along the c axis, while C-H⋯O inter-actions and C-H⋯F hydrogen bonds to the fluorine acceptor stack the mol-ecules down the b axis. In addition, the crystal structure exhibits a weak C-H⋯π inter-action between a methyl H atom of the me ...[more]

PMID: 21582580

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