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8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbo-nitrile.

ABSTRACT: In the title compound, C(17)H(11)BrN(2)O(2), the five-membered isoxazole ring has an envelope conformation with the C atom bearing the phenyl ring as the flap. The pyran ring has a half-chair conformation. In the chromeno ring system, the dihedral angle between the mean plane of the pyran ring and the benzene ring is 4.68?(2)°. The dihedral angle between the mean planes of the chromeno ring system and the isoxazole ring is 13.79?(15)°. The latter forms a dihedral angle of 34.10?(17)° with the phenyl ring. In the crystal, mol-ecules are linked by C-H?N hydrogen bonds, forming an undulating two-dimensional network parallel to the ab plane.

SUBMITTER: Suresh G

PROVIDER: S-EPMC3569831 | biostudies-other | 2013 Feb

REPOSITORIES: biostudies-other

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8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbo-nitrile.

Suresh G G Srinivasan J J Bakthadoss M M Aravindhan S S

Acta crystallographica. Section E, Structure reports online 20130131 Pt 2

In the title compound, C(17)H(11)BrN(2)O(2), the five-membered isoxazole ring has an envelope conformation with the C atom bearing the phenyl ring as the flap. The pyran ring has a half-chair conformation. In the chromeno ring system, the dihedral angle between the mean plane of the pyran ring and the benzene ring is 4.68 (2)°. The dihedral angle between the mean planes of the chromeno ring system and the isoxazole ring is 13.79 (15)°. The latter forms a dihedral angle of 34.10 (17)° with the ph ...[more]

PMID: 23424577

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