Molecular and crystal structure of the reaction product of 1-butyl-1-dibutylboryl-2-phenyl-2-diphenylphosphinoethene withtert-butylisocyanide

Abstract

The structure of 4-hydroxy-4-[1-n-butyl-2-phenyl-2-(diphenylphosphino)ethenyl]-2-methyl-5,5-di-(n-butyl)-1-tert-butyl-1-aza-3-azonia-4-boratacyclopent-2-ene (I), the product of the reaction of the title compounds, has been established by X-ray structure analysis. The heterocycle has an envelope conformation, with the B atom deviating from the plane of four atoms. The distribution of bond lengths in the heterocycle is indicative of a delocalization in the N−C−N fragment. In the crystal, the molecules I form centrosymmetric dimers with the help of the H-bonds N−H...O. The hydroxyl group has a short intramolecular contact to the phosphorus atom, which can be interpreted as the hydrogen bond of the O−H...P type.