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[N,N-Bis(2-hy-droxy-eth-yl)di-thio-carbamato-?2S,S']bis-(tri-phenyl-phosphane-?P)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 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??(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.

SUBMITTER: Tan SL 

PROVIDER: S-EPMC5137612 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

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

Tan Sang Loon SL   Yeo Chien Ing CI   Heard Peter J PJ   Akien Geoffrey R GR   Halcovitch Nathan R NR   Tiekink Edward R T ER  

Acta crystallographica. Section E, Crystallographic communications 20161115 Pt 12

The title compound, [Cu(C<sub>5</sub>H<sub>5</sub>NO<sub>2</sub>S<sub>2</sub>)(C<sub>18</sub>H<sub>15</sub>P)<sub>2</sub>]·CHCl<sub>3</sub>, features a tetra-hedrally coordinated Cu<sup>I</sup> atom within a P<sub>2</sub>S<sub>2</sub> 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 {⋯HOC<sub>2</  ...[more]

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