Crystal and molecular structures of three 2,2′-thio- and 2,2′-sulfonyl-bis(1,3-diarylprop-2-en-1-ones)

Abstract

The X-ray crystal structures of 2,2′-thio- and 2,2′-sulfonylbis(1,3-diarylprop-2-en-1-ones) are determined [1: 2,2′-thiobis(3-(p-chlorophenyl)-1-phenylprop-2-en-1-one), C₃₀H₂₀Cl₂O₂S, space group C2/c, a = 14.275(3), b = 6.280(1), c = 26.533(5) Å, β = 94.55(3)°, Z′ = 1/2; 2: 2,2′-sulfonylbis(1,3-diphenylprop-2-en-1-one), C₃₀H₂₂O₄S, space group P $\overline 1$, a = 9.652(1), b = 12.044(1), c = 12.182(1) Å, α = 61.985(6), β = 77.511(5), γ = 74.340(6)°, Z′ = 1; 3: 2,2′-sulfonylbis(3-(p-chlorophenyl)-1-phenylprop-2-en-1-one), C₃₀H₂₀Cl₂O₄S, space group P $\overline 1$, a = 8.294(1), b = 13.175(2), c = 13.470(1) Å, α = 62.870(9), β = 83.796(7), γ = 85.282(8)°, Z′ = 1]. The C=C double bonds are all clearly defined. The sulfide 1 crystallizes on a crystallographic twofold axis, leading to a symmetric molecular conformation. The sulfones 2 and 3 crystallize on general positions, with different and irregular conformations.