DIMETHYL N-CYANODITHIOIMINOCARBONATE AND TRIPHENYLPHOSPHINE OXIDE METAL HALIDE COMPLEXES: MOLECULAR CRYSTAL ELUCIDATION

Abstract

Two MX₂ (M = Ni, Zn; X = Cl, Br) dimethyl N-cyanodithioiminocarbonate compounds and one CrCl₂ triphenylphosphine oxide complex were isolated and elucidated by single crystal X-ray crystallography. NiCl₂[(CH₃S)₂C═NC≡N]₂ (1) features inversion-related hydrogen bonded dimers linked into chains interacting through C-H···Cl growing layers along [110] whose junction into a 3D structure is enabled by H-bonds. ZnBr₂[(CH₃S)₂C═NC≡N]₂ (2) also exhibits inversion-related H-bonded dimers. In contrast with 1, the structure of 2 comprises chains along [110], connected via C-H···Br and C-H···S into a 2D layer along [-110]. CrCl₂(OPPh₃)₂ (3) obtaining undergone redox processes, oxidizing [CH₃C(O)CH₂PPh₃]⁺ to form PPh₃PO, and reducing Cr from Cr^VI to Cr^II. In the structure, each molecule is linked to height neighbors through H-bonds affording a 3D network.