Crystal structures and Hirshfeld surface analyses of bis-[ N, N-bis-(2-meth-oxy-eth-yl)di-thio-carbamato-κ2S, S']di- n-butyl-tin(IV) and [ N-(2-meth-oxy-eth-yl)- N-methyl-dithio-carbamato-κ2S, S']tri-phenyl-tin(IV)

Acta Crystallogr E Crystallogr Commun. 2018 Feb 7;74(Pt 3):302-308. doi: 10.1107/S2056989018001901. eCollection 2018 Mar 1.

Abstract

The crystal and mol-ecular structures of the two title organotin di-thio-carbamate compounds, [Sn(C4H9)2(C7H14NO2S2)2], (I), and [Sn(C6H5)3(C5H10NOS2)], (II), are described. Both structures feature asymmetrically bound di-thio-carbamate ligands leading to a skew-trapezoidal bipyramidal geometry for the metal atom in (I) and a distorted tetra-hedral geometry in (II). The complete mol-ecule of (I) is generated by a crystallographic twofold axis (Sn site symmetry 2). In the crystal of (I), mol-ecules self-assemble into a supra-molecular array parallel to (10-1) via methyl-ene-C-H⋯O(meth-oxy) inter-actions. In the crystal of (II), supra-molecular dimers are formed via pairs of weak phenyl-C-H⋯π(phen-yl) contacts. In each of (I) and (II), the specified assemblies connect into a three-dimensional architecture without directional inter-actions between them. Hirshfeld surface analyses confirm the importance of H⋯H contacts in the mol-ecular packing of each of (I) and (II), and in the case of (I), highlight the importance of short meth-oxy-H⋯H(but-yl) contacts between layers.

Keywords: Hirshfeld surface analysis; crystal structure; di­thio­carbamate; organotin.

Grants and funding

This work was funded by Universiti Kebangsaan Malaysia grant GGP-2017-081.