Abstract
The solvated title salt, (C8H15N2)[NiBr3(P(C6H5)3)]·0.5C4H10O, was obtained in the form of single crystals directly from the reaction mixture. The mol-ecular structure consists of separated 1-butyl-3-methyl-imidazolium cations, tri-bromido-(tri-phenyl-phosphane)nickelate(II) anions and half a solvent mol-ecule of 1-butanol, all connected via multiple hydrogen contacts to form a three-dimensional network. The co-crystallized 1-butanol mol-ecule is disordered and adopts two orientations. The central C-C bonds of both orientations are located on an inversion centre (Wyckoff site 2b of space group P21/n). Thereby, each orientation has again two orientations with the OH group being located either on one or the other side of the C4 alkyl chain. The dried solvent-free compound exhibits a relatively low melting point (m.p. = 412 K).
Highlights
The solvated title salt, (C8H15N2)[NiBr3(P(C6H5)3)]Á0.5C4H10O, was obtained in the form of single crystals directly from the reaction mixture
The molecular structure consists of separated 1-butyl-3-methylimidazolium cations, tribromido(triphenylphosphane)nickelate(II) anions and half a solvent molecule of 1-butanol, all connected via multiple hydrogen contacts to form a threedimensional network
We report here the synthesis and crystal structure of (BMIm)+[NiBr3(P(C6H5)3)]ÀÁ0.5(C4H10O) (BMIm+ is 1-butyl-3methylimidazolium)
Summary
Nickel(II) complexes exhibiting pseudo-tetrahedral symmetry [NiX3L]À [X: halide, L: neutral ligand, e.g. P(C6H5)3] have been thoroughly characterized for more than 50 years by means of magnetic investigations, UV–vis and far-infrared spectroscopy, NMR and EPR as well as Mossbauer spectroscopy (Figgis et al, 1966; Bradbury et al, 1967; Fischer & Horrocks, 1968; Erich et al, 1969; Gerloch et al, 1981; Desrochers et al, 2006). Complexes bearing the [NiBr3P(C6H5)3]À anion have been investigated as suitable precatalysts for the generation of Ni–NHC complexes (NHC: N-heterocyclic carbene) in catalytic processes, e.g. selective cross-coupling reactions (Xu et al, 2013; Poulten et al, 2014; Zhang et al, 2015). Single-crystal structure determinations of complexes with the general formula (cation)[NiBr3P(C6H5)3] are known for the following cations: [As(C6H5)4]+ (Hanton & Raithby, 1980), (DiPIm)+ (DiPIm: 1,3-diisopropylimidazolium; Xu et al, 2013), (DiPPhIm)+
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