(2S,5S,6R)-5-(4-Methylphenyl)-3-phenyl-4,8-dioxa-3-azatricyclo[7.4.0.0^2,6]trideca-1(13),9,11-triene-6-carbonitrile

Abstract

In the title compound, C24H20N2O2, 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 inter­molecular C—H⋯N inter­actions, through bifurcated acceptor hydrogen bonds formed between the carbonitrile N atom and two alternate C atoms in the unsubstituted benzene ring. The mol­ecular structure and crystal packing are further stabilized by intra­molecular and inter­molecular C—H⋯π inter­actions.

rac-Methyl 3-(2-methoxyphenyl)-1-phenyl-3,3a,4,9b-tetrahydro-1H-chromeno[4,3-c]isoxazole-3a-carboxylate

“…1) agree well with the reported similar structures (Kanchanadevi et al, 2011;Swaminathan et al, 2012).…”

“…For N-atom hybridization, see: Beddoes et al (1986). For related structures, see: Kanchanadevi et al (2011); Swaminathan et al (2012). For conformational analysis and puckering parameters, see: Cremer & Pople (1975 Table 1 Hydrogen-bond geometry (Å , ).…”

rac-6-Ethoxy-3,3a,4,9b-tetrahydro-1,3-diphenyl-1H-chromeno[4,3-c]isoxazole-3a-carbonitrile

“…The geometric parameters of the title compound ( Fig. 1) agree well with the reported similar structures (Kanchanadevi et al, 2011;Swaminathan et al, 2012). (Table 1).…”

“…For conformational analysis and puckering parameters, see : Cremer & Pople, (1975). For related structures, see: Kanchanadevi et al (2011); Swaminathan et al (2012).…”