JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, vol.40, no.3, pp.231-234, 2010 (SCI-Expanded)
The title compound, 3'-(4-methoxyphenyl)-2-phenyl-4'-(4-ethoxyphenyl)-1,2-dihydro-4H,4'H-spiro[isoquinoline-3,5'-isoxazol]-4-one was synthesized from the reaction of dipolarophile with p-methoxybenzadoxime in the presence of sodium hypochlorite in chloroform solution. The structure of the synthesized compound was determined by IR, H-1 NMR, mass spectroscopic data, C-13 NMR spectroscopy, elemental analysis and X-ray crystallography. The structure was solved in monoclinic, space group C2/c with a = 21.941 (4), b = 17.233 (3), c = 15.404 (3) angstrom, beta = 122.193 (2), V = 4928.9 (16) angstrom(3), Z = 8 and with R-int = 0.154. The geometry of the title compound showed that the piperidine ring adopts a half-chair conformation. In the crystal structure, molecules are linked by C-H center dot center dot center dot O and C-H center dot center dot center dot N contacts. Weak C-H center dot center dot center dot pi p interactions plays an important role in stabilizing the supramolecular structure.