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Crystal structure of methyl 3-(3-fluoro-phen-yl)-1-methyl-1,3a,4,9b-tetra-hydro-3H-thio-chromeno[4,3-c]isoxazole-3a-carboxyl-ate.

ABSTRACT: In the title compound, C19H18FNO3S, the five-membered oxazolidine ring adopts an envelope conformation with the methine C atom of the fused bond as the flap. Its mean plane is oriented at a dihedral angle of 50.38?(1)° with respect to the fluoro-phenyl ring. The six-membered thio-pyran ring has a half-chair conformation and its mean plane is almost coplanar with the fused benzene ring, making a dihedral angle of 4.94?(10)°. The two aromatic rings are inclined to one another by 85.96?(11)°, and the mean planes of the oxazolidine and thio-pyran rings are inclined to one another by 57.64?(12)°. In the crystal, mol-ecules are linked by C-H?? inter-actions, forming a three-dimensional structure.

SUBMITTER: Savithri MP

PROVIDER: S-EPMC4571418 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of methyl 3-(3-fluoro-phen-yl)-1-methyl-1,3a,4,9b-tetra-hydro-3H-thio-chromeno[4,3-c]isoxazole-3a-carboxyl-ate.

Savithri M P MP Suresh M M Raghunathan R R Vimala G G SubbiahPandi A A

Acta crystallographica. Section E, Crystallographic communications 20150725 Pt 8

In the title compound, C19H18FNO3S, the five-membered oxazolidine ring adopts an envelope conformation with the methine C atom of the fused bond as the flap. Its mean plane is oriented at a dihedral angle of 50.38 (1)° with respect to the fluoro-phenyl ring. The six-membered thio-pyran ring has a half-chair conformation and its mean plane is almost coplanar with the fused benzene ring, making a dihedral angle of 4.94 (10)°. The two aromatic rings are inclined to one another by 85.96 (11)°, and t ...[more]

PMID: 26396818

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