title: [N,N-Bis(2-hy-droxy-eth-yl)di-thio-carbamato-κ2S,S']bis-(tri-phenyl-phosphane-κP)copper(I) chloro-form monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements.
abstract: The title compound, [Cu(C5H5NO2S2)(C18H15P)2]·CHCl3, features a tetra-hedrally coordinated CuIatom within a P2S2donor set defined by two phosphane P atoms and by two S atoms derived from a symmetrically coordinating di-thio-carbamate ligand. Both intra- and inter-molecular hy-droxy-O-H⋯O(hydroxy) hydrogen bonding is observed: the former closes an eight-membered {⋯HOC2NC2O} ring, whereas the latter connects centrosymmetrically related mol-ecules into dimeric aggregatesviaeight-membered {⋯H-O⋯H-O}2synthons. The complex mol-ecules are arranged to form channels along thecaxis in which reside the chloro-form mol-ecules, being connected by Cl⋯π(arene) and short S⋯Cl [3.3488 (9) Å] inter-actions. The inter-molecular inter-actions 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 mol-ecular structure is retained in solution, the tri-phenyl-phosphane ligands are highly labile, exchanging rapidly with free Ph3P at room temperature.
authors.affiliation: Research Centre for Crystalline Materials, Faculty of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.
authors.forename: Sang Loon
authors.initials: SL
authors.lastname: Tan
authors.affiliation: Research Centre for Crystalline Materials, Faculty of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.
authors.forename: Chien Ing
authors.initials: CI
authors.lastname: Yeo
authors.affiliation: Office of the Provost, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.
authors.forename: Peter J
authors.initials: PJ
authors.lastname: Heard
authors.affiliation: Department of Chemistry, Lancaster University, Lancaster LA1 4YB, UK.
authors.forename: Geoffrey R
authors.initials: GR
authors.lastname: Akien
authors.affiliation: Department of Chemistry, Lancaster University, Lancaster LA1 4YB, UK.
authors.forename: Nathan R
authors.initials: NR
authors.lastname: Halcovitch
authors.affiliation: Research Centre for Crystalline Materials, Faculty of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.
authors.forename: Edward R T
authors.initials: ER
authors.lastname: Tiekink
keywords: Hirshfeld surface analysis; NMR; copper; crystal structure; di­thio­carbamate; hydrogen bonding