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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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Detalles Bibliográficos
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
Descripción
Sumario: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.