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

The title compound, [Cu(C(5)H(5)NO(2)S(2))(C(18)H(15)P)(2)]·CHCl(3), features a tetra­hedrally coordinated Cu(I) atom within a P(2)S(2) donor set defined by two phosphane P atoms and by two S atoms derived from a symmetrically coordinating di­thio­carbamate ligand. Both intra- and inter­molecular hy...

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Autores principales: Tan, Sang Loon, Yeo, Chien Ing, Heard, Peter J., Akien, Geoffrey R., Halcovitch, Nathan R., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137612/
https://www.ncbi.nlm.nih.gov/pubmed/27980834
http://dx.doi.org/10.1107/S2056989016017837
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author Tan, Sang Loon
Yeo, Chien Ing
Heard, Peter J.
Akien, Geoffrey R.
Halcovitch, Nathan R.
Tiekink, Edward R. T.
author_facet Tan, Sang Loon
Yeo, Chien Ing
Heard, Peter J.
Akien, Geoffrey R.
Halcovitch, Nathan R.
Tiekink, Edward R. T.
author_sort Tan, Sang Loon
collection PubMed
description The title compound, [Cu(C(5)H(5)NO(2)S(2))(C(18)H(15)P)(2)]·CHCl(3), features a tetra­hedrally coordinated Cu(I) atom within a P(2)S(2) 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 {⋯HOC(2)NC(2)O} 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 Ph(3)P at room temperature.
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spelling pubmed-51376122016-12-15 [N,N-Bis(2-hy­droxy­eth­yl)di­thio­carbamato-κ(2) S,S′]bis­(tri­phenyl­phosphane-κP)copper(I) chloro­form monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements Tan, Sang Loon Yeo, Chien Ing Heard, Peter J. Akien, Geoffrey R. Halcovitch, Nathan R. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Cu(C(5)H(5)NO(2)S(2))(C(18)H(15)P)(2)]·CHCl(3), features a tetra­hedrally coordinated Cu(I) atom within a P(2)S(2) 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 {⋯HOC(2)NC(2)O} 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 Ph(3)P at room temperature. International Union of Crystallography 2016-11-15 /pmc/articles/PMC5137612/ /pubmed/27980834 http://dx.doi.org/10.1107/S2056989016017837 Text en © Tan et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Tan, Sang Loon
Yeo, Chien Ing
Heard, Peter J.
Akien, Geoffrey R.
Halcovitch, Nathan R.
Tiekink, Edward R. T.
[N,N-Bis(2-hy­droxy­eth­yl)di­thio­carbamato-κ(2) S,S′]bis­(tri­phenyl­phosphane-κP)copper(I) chloro­form monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements
title [N,N-Bis(2-hy­droxy­eth­yl)di­thio­carbamato-κ(2) S,S′]bis­(tri­phenyl­phosphane-κP)copper(I) chloro­form monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements
title_full [N,N-Bis(2-hy­droxy­eth­yl)di­thio­carbamato-κ(2) S,S′]bis­(tri­phenyl­phosphane-κP)copper(I) chloro­form monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements
title_fullStr [N,N-Bis(2-hy­droxy­eth­yl)di­thio­carbamato-κ(2) S,S′]bis­(tri­phenyl­phosphane-κP)copper(I) chloro­form monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements
title_full_unstemmed [N,N-Bis(2-hy­droxy­eth­yl)di­thio­carbamato-κ(2) S,S′]bis­(tri­phenyl­phosphane-κP)copper(I) chloro­form monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements
title_short [N,N-Bis(2-hy­droxy­eth­yl)di­thio­carbamato-κ(2) S,S′]bis­(tri­phenyl­phosphane-κP)copper(I) chloro­form monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements
title_sort [n,n-bis(2-hy­droxy­eth­yl)di­thio­carbamato-κ(2) s,s′]bis­(tri­phenyl­phosphane-κp)copper(i) chloro­form monosolvate: crystal structure, hirshfeld surface analysis and solution nmr measurements
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137612/
https://www.ncbi.nlm.nih.gov/pubmed/27980834
http://dx.doi.org/10.1107/S2056989016017837
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