Crystal Structures of 4-Methyl-1-(3,4,4-trichloro-1-cyclohexylsulfanyl-2-nitro-buta-1,3-dienyl) Piperidine and 4-( 3,4,4-Trichloro-1-decylsulfanyl-2-nitro-buta-1,3-dienyl) Morpholine and Spectroscopic Properties

Abstract

4-Methyl-1-(3,4,4-trichloro-1-cyclohexylsulfanyl-2-nitro-buta-1,3-dienyl) piperidine (2a) and 4-(3,4,4-trichloro-1-decylsulfanyl-2-nitro-buta-1,3-dienyl) morpholine (3b) were synthesized, and their crystal structures were determined. The compound 2a is monoclinic, with space group P21/n, a=13.2874(8), b=9.7584(4), c=15.9479(9) angstrom, =109.110(3)degrees. V=1953.91(18) angstrom 3, Z=4. The cyclohexyl and piperidine rings adopt chair conformation. The compound 3b is monoclinic, with space group P 1 21/c 1, a=15.7741(3), b=8.9335(10), c=16.7775(4) angstrom, =100.7382(13)degrees. V=2322.85(8)angstrom 3, Z=4. The morpholine ring is in a chair conformation. The butadiene unit assumed a configuration close to cissoid in both structures, and their spectroscopic properties were investigated.