Molecular complexes. Part XVII. Crystal and molecular structure of perylene–7,7,8,8-tetracyanoquinodimethane molecular complex

Abstract

Crystals of the title 1:1 molecular complex are monoclinic, a= 7·32, b= 14·55, c= 10·88 Å, γ= 90·4°, space group P2₁/b, Z= 2. The structure has been determined from diffractometer data by direct methods and refined by least squares to R 0·064 for 1644 independent reflections. The dimensions of the component molecules have been corrected for rigid-body libration. The mode of overlap of the electron-donor and -acceptor molecules, which are stacked alternately plane-to-plane along the a axis of the crystal, is very close to that expected on the basis of maximisation of the donor–acceptor charge-transfer interaction.