Title of article :
[N,N-Bis(2-hydroxyethyl)dithiocarbamato-κ2S,S′]bis(triphenylphosphane-κP)copper(I) chloroform monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements
Author/Authors :
Tan, Sang Loon Research Centre for Crystalline Materials - Faculty of Science and Technology - Sunway University, Malaysia , Yeo, Chien Ing Research Centre for Crystalline Materials - Faculty of Science and Technology - Sunway University, Malaysia , Heard, Peter J. Research Centre for Crystalline Materials - Faculty of Science and Technology - Sunway University, Malaysia , Heard, Peter J. Office of the Provost - Sunway University, Malaysia , Akien, Geoffrey R. Department of Chemistry - Lancaster University, UK , Halcovitch, Nathan R. Department of Chemistry - Lancaster University, UK , Tiekink, Edward R. T. Research Centre for Crystalline Materials - Faculty of Science and Technology - Sunway University, Malaysia
Abstract :
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.
Keywords :
crystal structure , NMR , Hirshfeld surface analysis , hydrogen bonding , dithiocarbamate , copper
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
