Crystal Structure of 3′-(4-Methoxyphenyl)-2-Phenyl-4′-(4-Ethoxyphenyl)-1,2-Dihydro-4H,4′H-Spiro [Isoquinoline-3,5′-Isoxazol]-4-One (original) (raw)

2009, Journal of Chemical Crystallography

The title compound, 3 0-(4-methoxyphenyl)-2phenyl-4 0-(4-ethoxyphenyl)-1,2-dihydro-4H,4 0 H-spiro[isoquinoline-3,5 0-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, 1 H NMR, mass spectroscopic data, 13 C 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) Å , b = 122.193 (2), V = 4928.9 (16) Å 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-HÁÁÁO and C-HÁÁÁN contacts. Weak C-HÁÁÁp interactions plays an important role in stabilizing the supramolecular structure. Keywords Crystal structure Á 3 0-(4-methoxyphenyl)-2-phenyl-4 0-(4-ethoxyphenyl)-1,2dihydro-4H,4 0 H-spiro[isoquinoline-3,5 0-isoxazol]-4-one Á Dipolarophile Á P-methoxybenzadoxime