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Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ(2) P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I)
The asymmetric unit of the title compound, [Cu(NCS)(C(3)H(8)N(2)S)(C(27)H(26)P(2))], contains two independent mononuclear complex molecules. In each, the Cu(I) ion exhibits a distorted tetrahedral geometry by coordination with two P atoms from one 1,3-bis(diphenylphosphino)propane (dppm) ligand, o...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350702/ https://www.ncbi.nlm.nih.gov/pubmed/25844209 http://dx.doi.org/10.1107/S2056989015002479 |
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author | Wattanakanjana, Yupa Nimthong-Roldán, Arunpatcha Ratthiwan, Janejira |
author_facet | Wattanakanjana, Yupa Nimthong-Roldán, Arunpatcha Ratthiwan, Janejira |
author_sort | Wattanakanjana, Yupa |
collection | PubMed |
description | The asymmetric unit of the title compound, [Cu(NCS)(C(3)H(8)N(2)S)(C(27)H(26)P(2))], contains two independent mononuclear complex molecules. In each, the Cu(I) ion exhibits a distorted tetrahedral geometry by coordination with two P atoms from one 1,3-bis(diphenylphosphino)propane (dppm) ligand, one terminal S atom of one N,N′-dimethylthiourea (dmtu) ligand and one terminal N atom of the thiocyanato ligand. The dppp ligand is involved in a bidentate coordination mode with the Cu(I) ion, forming a six-membered CuP(2)C(3) ring. In both molecules, the coordination of the dmtu ligand is further stabilized by an intramolecular N—H⋯N hydrogen bond with an S(6) graph-set motif. In the crystal, molecules are linked by N—H⋯S hydrogen bonds forming a zigzag chain along the a-axis direction. In one independent molecule, one of the phenyl rings of the dppp ligand is disordered over two sites with refined occupancies 0.639 (11):0.361 (11) and this corresponds with a mutual disorder of the dmtu ligand in the other independent molecule giving the same ratio of refined occupancies. The structure was refined as a two-component inversion twin. |
format | Online Article Text |
id | pubmed-4350702 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43507022015-04-03 Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ(2) P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I) Wattanakanjana, Yupa Nimthong-Roldán, Arunpatcha Ratthiwan, Janejira Acta Crystallogr E Crystallogr Commun Data Reports The asymmetric unit of the title compound, [Cu(NCS)(C(3)H(8)N(2)S)(C(27)H(26)P(2))], contains two independent mononuclear complex molecules. In each, the Cu(I) ion exhibits a distorted tetrahedral geometry by coordination with two P atoms from one 1,3-bis(diphenylphosphino)propane (dppm) ligand, one terminal S atom of one N,N′-dimethylthiourea (dmtu) ligand and one terminal N atom of the thiocyanato ligand. The dppp ligand is involved in a bidentate coordination mode with the Cu(I) ion, forming a six-membered CuP(2)C(3) ring. In both molecules, the coordination of the dmtu ligand is further stabilized by an intramolecular N—H⋯N hydrogen bond with an S(6) graph-set motif. In the crystal, molecules are linked by N—H⋯S hydrogen bonds forming a zigzag chain along the a-axis direction. In one independent molecule, one of the phenyl rings of the dppp ligand is disordered over two sites with refined occupancies 0.639 (11):0.361 (11) and this corresponds with a mutual disorder of the dmtu ligand in the other independent molecule giving the same ratio of refined occupancies. The structure was refined as a two-component inversion twin. International Union of Crystallography 2015-02-11 /pmc/articles/PMC4350702/ /pubmed/25844209 http://dx.doi.org/10.1107/S2056989015002479 Text en © Wattanakanjana et al. 2015 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 | Data Reports Wattanakanjana, Yupa Nimthong-Roldán, Arunpatcha Ratthiwan, Janejira Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ(2) P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I) |
title | Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ(2)
P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I) |
title_full | Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ(2)
P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I) |
title_fullStr | Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ(2)
P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I) |
title_full_unstemmed | Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ(2)
P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I) |
title_short | Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ(2)
P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I) |
title_sort | crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ(2)
p,p′](n,n′-dimethylthiourea-κs)(thiocyanato-κn)copper(i) |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350702/ https://www.ncbi.nlm.nih.gov/pubmed/25844209 http://dx.doi.org/10.1107/S2056989015002479 |
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