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


Ibis C., Deniz N. G., Tuyun A. F.

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, vol.40, no.4, pp.353-356, 2010 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 40 Issue: 4
  • Publication Date: 2010
  • Doi Number: 10.1007/s10870-009-9660-7
  • Journal Name: JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.353-356
  • Keywords: Butadiene unit, Crystal structure, Morpholine ring, Chair conformation, NITRO DIENES
  • Istanbul University Affiliated: Yes

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.