[N,N-Bis (2-hydroxyethyl) Dithiocarbamatoj2 S,S0]bis (Triphenylphosphane-jP) Copper(I) Chloro form Monosolvate: Crystal Structure, Hirshfeld Surface Analysis and Solution NMR Measurements

Author(s): Sang Loon Tan | Chien Ing Yeo | Peter J. Heard | Geoffrey R. Akien | Nathan R. Halcovitch | Edward R. T. Tiekink

Type of publication: Journal paper

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 hydroxyO—HO(hydroxy) hydrogen bonding is observed: the former closes an eight-membered {HOC2NC2O} ring, whereas the latter connects centrosymmetrically relatedmolecules into dimeric aggregates via eight membered {H—OH—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 (arene) and short SCl [3.3488 (9) A˚ ] 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 HH 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.

Published URL: http://dx.doi.org/10.1107/S2056989016017837

Date Published: November 7 2016

Publication title: Chemistry

Publisher: CRYSTALLOGRAPHIC COMMUNICATIONS

Pages: 1799–1805

Keywords: Crystal Structure | Copper | Dithio Carbamate | Hydrogen Bonding | Hirshfeld Surface Analysis | NMR.

Depositing User: Selina Gondwe