Crystal and Molecular Structure of 12-(2-Methoxyphenyl)-9-[(4-methylbenzene)sulfonyl]-22-oxo-13,21-dioxa-9-azapentacyclo [12.8.0.0^2,11.0^3,8.0^15,20]docosa-1(14),3,5,7,15(20),16,18-heptaene-11-carbonitrile

Abstract

]docosa-1(14), 3,5,7,15(20) AbstractThe crystal structure of the title compounds with both coumarin and sulfonamide moieties were examined. These two groups have very special for their pharmaceutical and medicinal properties have been determined from single crystal Xray diffraction data. In the title compound crystallizes in the monoclinic space group P2 1 /c with unit cell dimension a= 8.5775(4)Å, b= 24.9943(13)Å and c=13.7319(7)Å [alpha & gamma=90 o beta= 103.558 (2) o ]. In the structure The S1 atom shows a distorted tetrahedral geometry, with O1-S1-O2 [121.08 (1) o ] and N1-S1-C5 [105.85 (1) o ] angles deviating from ideal tetrahedral values are attributed to the Thrope-Ingold effect. The sum of bond angles around N1 (354.9 o ) indicates that N1 is in sp 2 hybridization. The Pyridine ring adopts boat conformation and pyran rings adopt a sofa conformation. Crystal structure is stabilized by C-H…O intra molecular hydrogen bond interactions.