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

Acta Crystallographica Section E: Crystallographic Communications

Geoffrey R. Akien¹  Nathan R. Halcovitch¹  Peter J. Heard²  Chien Ing Yeo³  Sang Loon Tan³  Edward R. T. Tiekink³ 

[1] Department of Chemistry, Lancaster University, Lancaster LA1 4YB, UK;Office of the Provost, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia;Research Centre for Crystalline Materials, Faculty of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia;

关键词: crystal structure;    copper;    dithiocarbamate;    hydrogen bonding;    Hirshfeld surface analysis;    NMR;   

DOI  :  10.1107/S2056989016017837

来源: DOAJ

【 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.

【 授权许可】

Unknown