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Rac-Methyl 3-(2-meth-oxy-phen-yl)-3a,4-di-hydro-3H-chromeno[4,3-c]isoxazole-3a-carboxyl-ate.

ABSTRACT: The title compound, C19H17NO5, comprising two stereogenic C atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The pyran ring adopts a half-chair conformation, while the isoxazole ring adopts an envelope conformation with the C atom bonded to the meth-oxy-phenyl group as the flap. The dihedral angle between the mean plane of the pyran ring and the adjacent benzene ring is 5.86?(5)°. In the crystal, mol-ecules are linked by a weak C-H?O hydrogen bond, forming a chain along the a axis.

SUBMITTER: Paramasivam S

PROVIDER: S-EPMC3647860 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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rac-Methyl 3-(2-meth-oxy-phen-yl)-3a,4-di-hydro-3H-chromeno[4,3-c]isoxazole-3a-carboxyl-ate.

Paramasivam S S Srinivasan J J Seshadri P R PR Bakthadoss M M

Acta crystallographica. Section E, Structure reports online 20130405 Pt 5

The title compound, C19H17NO5, comprising two stereogenic C atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The pyran ring adopts a half-chair conformation, while the isoxazole ring adopts an envelope conformation with the C atom bonded to the meth-oxy-phenyl group as the flap. The dihedral angle between the mean plane of the pyran ring and the adjacent benzene ring is 5.86 (5)°. In the crystal, mol-ecules are linked by a weak C-H⋯O hydrogen bond, fo ...[more]

PMID: 23723826

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