[N,N-Bis(2-hydroxyethyl)dithiocarbamato-κ²S,S′]bis(triphenylphosphane-κP)copper(I) chloroform monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements

Abstract

A tetra­hedral CuP2S2 coordination geometry is found for the CuI ion in the title compound. The di­thio­cabamate ligand forms symmetric Cu—S bonds. In the crystal, supra­molecular dimers of complex mol­ecules are connected via eight-membered {⋯H—O⋯H—O}2 synthons. In addition, the chloro­form mol­ecule participates in Cl⋯π(arene) and S⋯Cl inter­actions.

Electron belt-to-σ-hole switch of noncovalently bound iodine(i) atoms in dithiocarbamate metal complexes

“…Despite this rather broad spectrum of applications, [M(S 2 CNR 2 ) 2 ] species have never been systematically employed as σh acceptors for crystal engineering involving XBs. The only identified Cl 2 CH-Cl⋯S XB including a dithiocarbamate complex has been reported 30 for the X-ray diffraction structure of [Cu I {(HO(CH 2 ) 2 ) 2 NCS̲ 2 }(PPh 3 ) 2 ]•CHCl 3 . In some other cases, C-Cl⋯S 14,[31][32][33][34][35] and I-I⋯S 36,37 short contacts with thiocarbamate ligands were considered as "donor-acceptor", "short-contact", or "charge transfer" interactions of the electrostatic nature, but have never been recognized as XB.…”

μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbodithioato-κ4S:S,S′:S′)tris[(triethylphosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis

“…The majority, i.e. 12 conform to the tetrahedral CuP 2 S 2 motif observed in the biologically active bis(phosphane)copper(I) dithiocarbamate compounds mentioned in the Chemical Context Tan et al, 2016). Similar coordination geometries are found in two binuclear structures with bis(dithiocarbamate) ligands, as exemplified in (Ph 3 P) 2 CuS 2 CN(CH 2 CH 2 ) 2 NCS 2-Cu(PPh 3 ) 2 (Kumar et al, 2009).…”