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Crystal structure of [1,3-bis-(di-phenyl-phosphan-yl)propane-?(2) P,P'](N,N'-di-methyl-thio-urea-?S)(thio-cyanato-?N)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.

SUBMITTER: Wattanakanjana Y

PROVIDER: S-EPMC4350702 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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