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

Tan, Sang Loon and Yeo, Chien Ing and Heard, Peter J. and Akien, Geoffrey Richard and Halcovitch, Nathan Ross and Tiekink, Edward R.T. (2016) [N,N-Bis(2-hy­droxy­eth­yl)di­thio­carbamato-[kappa]2S,S']bis­(tri­phenyl­phosphane-[kappa]P)copper(I) chloro­form monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements. Acta Crystallographica Section E: Crystallographic Communications, 72 (12). pp. 1799-1805.

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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...[pi](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.

Item Type:
Journal Article
Journal or Publication Title:
Acta Crystallographica Section E: Crystallographic Communications
Uncontrolled Keywords:
?? crystal structurecopperdi­thio­carbamatehydrogen bondinghirshfeld surface analysisnmrcondensed matter physicsgeneral materials sciencegeneral chemistrymaterials science(all)chemistry(all) ??
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Deposited On:
06 Jan 2017 15:24
Last Modified:
16 Jul 2024 10:22