Crystal structure of (,2-2,2'-bipyrimidine-κ4N1,N1':N3,N3')bis[iodido (t-butyldiphenylphosphane-κP)copper(I)]dimethylformamide disolvate, C40H44Cu2I2N4P2·2(C3H7NO), C46H58Cu2I2N6O2P2

Abstract

Source of materialSynthesiso ft he complex (bpm)[(t-Bu)Ph 2 P] 2 Cu 2 I 2 ×2DMF: CuI (1 mmol, 0.190 g), (t-Bu)Ph 2 P( 1m mol, 0.242 g) and 2,2'-bipyrimidine (0.5 mmol, 0.079 g) were reacted in dimethylformamide (35 mL) at 65°C for 2h ours. The red solution was then filtered. Red crystals suitable for X-ray diffraction were obtained by slow evaporation after few days. Experimental detailsAll hydrogen atomswere included at calculated positions using a riding model with C-H distances of 0.93 Åfor sp 2 carbons and 0.96 Åf or sp 3 carbons. Thei sotropic displacement parameters were U iso (H) =1.2U eq (C) andU iso (H) =1.5U eq (C), respectively. DiscussionCopper (I) mixed-ligand complexes with imines and phosphines present various attracting chemical and physical properties. They have been shown to be affective catalysts for avariety of coupling reactions [1, 2].They also exhibit interesting photophysical properties [3,4]. We have reported earlier monometallic mixed-ligand complexes of copper(I) with diimines and phosphinesthat were found to be effective catalysts for the coupling of phenylacetylene with halobenzene [2]. Extending our work to bimetallic species,wereportherein the synthesis and X-Ray structure of abimetallic mixed-ligand copper(I) iodido complex based on 2,2'-bipyrimidine (bpm)a nd t-butyldiphenylphosphine. The asymmetric unit contains one half-molecule of the complex (bpm)[(tBu)Ph 2 P] 2 Cu 2 I 2 and one dimethylformamide molecule. The 2,2'-bipyrimidine ligand bridges two copper(I) ions that are additionally bonded to an iodido ligand and the phosphorus atom of the (tBu)Ph 2 Pligand in adistorted tetrahedral geometry. The chelate angle N1-Cu1-N2ii is 78.03(6)°(ii =2 -x,1-y,-z)a nd the P1-Cu1-I1 angle is 118.73(2)°. The N-Cu-P bond angles are in the range 116.24(5)-121.16(5)°. The Cu-N and Cu-P bond distances are similar to those found in the literature [5,6 ]. The tbutyldiphenylphosphine ligand adopts an anti configuration with respect to the Cu-I bond with atorsion angle I1-Cu1-P1-C5 of 172.05°. Likewise the t-butyl methyl groups adopt an anti conformation with C8-C5-P1-Cu1 torsion angle of -163.79°. The conformation of the two phenyl rings is characterized by dihedral angles with the C-P-C plane of 62.77°and 34.41°. Each 2,2'-bipyrimidine molecule is involved in non-classical C-H×××Ohy-drogen bondinginteractions with two dimethylformamide molecules.