The Crystal and Molecular Structure of the Adduct Formed by the Reaction of Tributylphosphine and p-Chlorobenzylidenemalononitrile

Abstract

Crystals of the 1:1 adduct of tributylphosphine with p-chlorobenzylidenemalononitrile are monoclinic, a = 13.719(2), b = 12.557(5), c = 14.229(3) Å, β = 110.59(2)°, Z = 4, space group P21/c. The structure was determined with diffractometer data by direct methods and refined by block-diagonal least-squares calculations to R = 0.10 for 1405 observed reflections. The structure is zwitterionic with the positive charge localized on the phosphorus atom and the negative charge mainly on the terminal —C(CN)2 group.