Co-crystallization of dimethyl N-cyanodithioiminocarbonate and bis[(aqua)-µ 2-hydroxy-n-butyldichlorotin(IV)

Abstract

Abstract The one-pot reaction of dimethyl N-cyanodithioiminocarbonate, [(MeS)2C=N–C≡N] with n-butyltin trichloride, Sn(n-Bu)Cl3 led to a dinuclear complex [Sn(n-Bu)Cl2(OH)(H2O)]2 which co-crystallized with two [(MeS)2C=N–C≡N] molecules (1). The product was investigated by single-crystal X-ray diffraction analysis. Compound 1 crystallizes in the triclinic space group P 1 ‾ $P\bar{1}$ with a = 6.8048(6), b = 11.0645(9), c = 12.4240(10) Å, α = 66.3120(10), β = 75.6070(10), γ = 72.2940(10)°, V = 807.42(12) Å3, Z = 1 and Z′ = 0.5. In the complex, two aqua-n-butyltin dichloride, [Sn(n-Bu)Cl2(H2O)]+, moieties are bridged by two hydroxide OH− ions. Two inner O2–H2OB⋯Cl2 hydrogen bonds strengthen the dinuclear component which is connected to its neighbours through a O1–H1O⋯Cl1 hydrogen bond pattern giving rise to a network of infinite chains running parallel to the (100) direction. The dimethyl N-cyanodithioiminocarbonate molecules are linked to these infinite chains through O2–H2OA⋯N1 hydrogen bonding interactions of D type. The [(MeS)2C=N–CN] molecules exhibits a minor positional disorder. These hydrogen bonding interactions lead to cyclic patterns generating R 1 1 ( 6 ) ${\text{R}}_{1}^{1}\left(6\right)$ and R 2 2 ( 8 ) ${\text{R}}_{2}^{2}\left(8\right)$ rings. Weak C–H⋯Cl hydrogen bonds also contribute to the stability of the crystal structure.