Abstract
The crystal structure of the benzene monosolvate of the well known organic diphosphite ligand BIPHEPHOS, C46H44O8P2·C6H6, is reported for the first time. Single crystals of BIPHEPHOS were obtained from a benzene solution after layering with n-heptane at room temperature. One specific property of this type of diphosphite structure is the twisting of the biphenyl units. In the crystal, C—H...π contacts and π–π stacking interactions [centroid-to-centroid distance = 3.8941 (15) Å] are observed.
Highlights
The crystal structure of the benzene monosolvate of the well known organic diphosphite ligand BIPHEPHOS, C46H44O8P2ÁC6H6, is reported for the first time
Single crystals of BIPHEPHOS were obtained from a benzene solution after layering with n-heptane at room temperature
One specific property of this type of diphosphite structure is the twisting of the biphenyl units
Summary
BIPHEPHOS is a very prominent organic diphosphite ligand applied as co-catalyst in the field of highly n-regioselective rhodium-catalysed alkene hydroformylation (Borner & Franke, 2016). Atropisomerism of the dibenzo[d,f][1,3,2]dioxaphosphepine moiety in related diphosphites has been studied in solution and by DFT methods (Whiteker et al, 1995, Briggs & Whiteker, 2001, Franke et al, 2003). Until now no crystal structure of BIPHEPHOS has been reported. Crystal structures have been published for similar diphosphites containing the same dibenzo[d,f][1,3,2]dioxaphosphepine unit but with the unsubstituted 2,20-dihydroxybiphenyl and the 2,20-dihydroxy-3,30,5,50-tetra(tbutyl)biphenyl backbone (Baker et al, 1991; Meyer et al, 1993; Hao et al, 2012; Liu et al, 2014). The common feature of these types of ligands is the twisting about the biphenyl linkages.
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