Crystal structure of [1,3-bis­(di­phenyl­phosphan­yl)propane-κ2P,P′](N,N′-di­methyl­thio­urea-κS)(thio­cyanato-κN)copper(I)

Acta Crystallographica Section E: Crystallographic Communications

Wattanakanjana, Y.¹  n, A.¹  Nimthong-Roldá² 

[1] Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112, Thailand;Department of Chemistry, Youngstown State University, 1 University Plaza, 44555 Youngstown, OH, USA

关键词: CRYSTAL STRUCTURE;    N,N'-DIMETHYLTHIOUREA;    COPPER(I) COMPLEX;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015002479

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The asymmetric unit of the title compound, [Cu(NCS)(C3H8N2S)(C27H26P2)], contains two independent mononuclear complex mol­ecules. In each, the CuI 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 CuI ion, forming a six-membered CuP2C3 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.

【 授权许可】

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