title: Crystal structure of [1,3-bis-(di-phenyl-phosphan-yl)propane-κ(2) P,P'](N,N'-di-methyl-thio-urea-κS)(thio-cyanato-κN)copper(I).
abstract: The asymmetric unit of the title compound, [Cu(NCS)(C3H8N2S)(C27H26P2)], contains two independent mononuclear complex mol-ecules. In each, the Cu(I) ion exhibits a distorted tetra-hedral geometry by coordination with two P atoms from one 1,3-bis(diphenylphosphino)propane (dppm) ligand, one terminal S atom of one N,N'-di-methyl-thio-urea (dmtu) ligand and one terminal N atom of the thio-cyanato ligand. The dppp ligand is involved in a bidentate coordination mode with the Cu(I) ion, forming a six-membered CuP2C3 ring. In both mol-ecules, the coordination of the dmtu ligand is further stabilized by an intra-molecular N-H⋯N hydrogen bond with an S(6) graph-set motif. In the crystal, mol-ecules are linked by N-H⋯S hydrogen bonds forming a zigzag chain along the a-axis direction. In one independent mol-ecule, 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 mol-ecule giving the same ratio of refined occupancies. The structure was refined as a two-component inversion twin.
authors.affiliation: Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112, Thailand.
authors.forename: Yupa
authors.initials: Y
authors.lastname: Wattanakanjana
authors.affiliation: Department of Chemistry, Youngstown State University, 1 University Plaza, 44555 Youngstown, OH, USA.
authors.forename: Arunpatcha
authors.initials: A
authors.lastname: Nimthong-Roldán
authors.affiliation: Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112, Thailand.
authors.forename: Janejira
authors.initials: J
authors.lastname: Ratthiwan
keywords: N,N′-di­methyl­thio­urea; copper(I) complex; crystal structure; hydrogen bonding
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