(2S,5S,6R)-5-(4-Methyl-phen-yl)-3-phenyl-4,8-dioxa-3-aza-tricyclo-[7.4.0.0]trideca-1(13),9,11-triene-6-carbonitrile.

ABSTRACT: In the title compound, C(24)H(20)N(2)O(2), the six-membered pyran ring adopts a half-chair conformation with one C atom deviating from the mean plane of the remaining ring atoms by 0.654 (6) Å. The five-membered isoxazole ring adopts an N-envelope conformation with the N atom displaced by 0.742 (5) Å from the mean plane formed by the remaining ring atoms. The carbonitrile side chain is almost linear, with a C-C-N angle of 178.6 (5)°. The crystal packing is stabilized by inter-molecular C-H⋯N inter-actions, through bifurcated acceptor hydrogen bonds formed between the carbonitrile N atom and two alternate C atoms in the unsubstituted benzene ring. The mol-ecular structure and crystal packing are further stabilized by intra-molecular and inter-molecular C-H⋯π inter-actions.

SUBMITTER: Swaminathan K 

PROVIDER: S-EPMC3274980 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature