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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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Autores principales: Wattanakanjana, Yupa, Nimthong-Roldán, Arunpatcha, Ratthiwan, Janejira
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
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.
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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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