[ N, N-Bis(2-hy-droxy-eth-yl)di-thio-carbamato-κ2S, S']bis-(tri-phenyl-phosphane-κ P)copper(I) chloro-form monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements

N, N-双(2-羟基乙基)二硫代氨基甲酸酯-κ2S, S']双-(三苯基膦-κ P)铜(I)氯仿单溶剂化物:晶体结构、Hirshfeld 表面分析和溶液 NMR 测量

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作者:Sang Loon Tan, Chien Ing Yeo, Peter J Heard, Geoffrey R Akien, Nathan R Halcovitch, Edward R T Tiekink

Abstract

The title compound, [Cu(C5H5NO2S2)(C18H15P)2]·CHCl3, features a tetra-hedrally coordinated CuI atom within a P2S2 donor 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 aggregates via eight-membered {⋯H-O⋯H-O}2 synthons. The complex mol-ecules are arranged to form channels along the c axis 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.

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