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

[摘要] The title compound, [Cu(C5H5NO2S2)(C18H15P)2]·CHCl3, features a tetra­hedrally coordinated CuI atom within a P2S2 donor set defined by two phosphane P atoms and by two S atoms derived from a symmetrically coordinating di­thio­carbamate ligand. Both intra- and inter­molecular hy­droxy-O—H⋯O(hydroxy) hydrogen bonding is observed: the former closes an eight-membered {⋯HOC2NC2O} ring, whereas the latter connects centrosymmetrically related mol­ecules into dimeric aggregates via eight-membered {⋯H—O⋯H—O}2 synthons. The complex mol­ecules are arranged to form channels along the c axis in which reside the chloro­form mol­ecules, being connected by Cl⋯π(arene) and short S⋯Cl [3.3488 (9) Å] inter­actions. The inter­molecular inter­actions have been investigated further by Hirshfeld surface analysis, which shows the conventional hydrogen bonding to be very localized with the main contributors to the surface, at nearly 60%, being H⋯H contacts. Solution NMR studies indicate that whilst the same basic mol­ecular structure is retained in solution, the tri­phenyl­phosphane ligands are highly labile, exchanging rapidly with free Ph3P at room temperature.

[学科分类] 数学（综合）

[关键词] CRYSTAL STRUCTURE;COPPER;DITHIOCARBAMATE;HYDROGEN BONDING;HIRSHFELD SURFACE ANALYSIS;NMR