Synthesis, Characterization, and Crystal Structure of 5'-Amino-4,4''-Dichloro-2'-Nitro-2',3'-Dihydro-[1,1':3',1''-Terphenyl]-4',4',6'(1'H)-Tricarbonitrile-Dimethyl Sulfoxide

The cyclohexene derivative 5'-amino-4,4''-dichloro-2'-nitro-2',3'-dihydro-[1,1':3',1''-terphenyl]-4',4',6'(1'H)-tricarbonitrile-dimethyl sulfoxide has been synthesised via one-pot pseudo five component reaction and its crystal structure is determined by X-ray analysis. The crystal is triclinic and its space group is P $$\bar {1}$$ with unit cell parameters a = 9.8187(6) A, b = 9.9413(6) A, c = 13.6838(9) A, α = 94.858(5)°, β = 98.693(5)°, γ = 97.119(5)°, and Z = 2. The crystal structure has been solved by direct methods and refined by full matrix least squares procedure to a final R value of 0.0687 for 1731 reflections. The cyclohexene ring B is twisted with respect to chlorophenyl rings A and C at angles of 51.9(5)° and 36.3(6)°, respectively. The crystal structure is stabilized by N–H⋅⋅⋅O and N–H⋅⋅⋅S hydrogen bonds involving the DMSO solvent molecule.