Extended chains via hydrogen bond linkages of dinuclear copper(II) and cadmium(II) complexes with a new flexible disulfoxide ligand

A new flexible disulfoxide ligand 1,6-bis(benzylsulfinyl)hexane (L), which is a mixture of the meso and rac isomers, was treated with CuII or CdII nitrate and obtained dimeric complex [Cu2(L)3(H2O)2(NO3)4] 2 or [Cd2(L)3(H2O)2(NO3)4] 3. In the reacting system the crystals of meso isomer 1 of L together with 2 or 3 were obtained. 2 and 3 have similar molecular structures. In the neutral dimer, three ligands present two kinds of coordination models: monodentate and bis-monodentate. The neutral dimeric units in 2 and 3 are linked by hydrogen bonds to yield a chain structure. Crystal structures of all three compounds were determined by single-crystal X-ray diffraction methods. Crystal data for 1: monoclinic, space group Cc, a=41.95(2), b=5.132(2), c=8.660(4) A, β=94.898(9) deg. , V=1857.7(15) A3, Z=4, final refinement (I>2σ(I)): R1=0.0659, wR2=0.1415. Crystal data for 2: triclinic, space group P-1, a=9.242(4), b=9.539(4), c=21.042(9) A, α=83.888(9), β=87.971(8), γ=74.177(9) deg. , V=1774.6(13) A3, Z=2, final refinement (I>2σ(I)): R1=0.0577, wR2=0.0954. Crystal data for 3: triclinic, space group P-1, a=9.203(4), b=9.831(3), c=20.860(7) A, α=84.313(6), β=86.432(7), γ=74.188(6) deg. , V=1805.9(11) A3, Z=2, final refinement (I>2σ(I)): R1=0.0548, wR2=0.1192