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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-5137612 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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