Crystal Structure of 4-Bromo-3,4-Dichloro-1-(1-Morpholinyl)-1-(Decylsulfanyl)-2-Nitro-Buta-1,3-Diene

Abstract

The compound 4-bromo-3,4-dichloro-1-(1-morpholinyl)-1-(decylsulfanyl)-2-nitro-buta-3-diene was synthesized from the reaction of 4-bromo-1,3,4-trichloro-1(decylsulfanyl)-2-nitro-buta-1,3-diene with morpholine and characterized by elemental analysis, IR spectrum, UV spectra, H-1 NMR, C-13 NMR and X-ray single crystal determination. In the title compound, C18H29BrCl2N2O3S, crystallizes in the monoclinic space group P2(1)/c, a = 15.8326(4) angstrom, b = 8.9915(10) angstrom, c = 16.7528(5) angstrom, beta = 100.808(10)degrees, V = 2,342.6(3) angstrom(3), Z = 4, R-1 = 0.0590 and wR(2) = 0.0940. The morpholine ring adopts a chair conformation. The morpholine ring and the butadiene group are inclined at an angle of 113.4 (1)degrees. The butadiene unit is not planar as can be expected if the two double bonds are fully conjugated.