The Crystal Structure of the 1 : 1 Complex N, N, N′ N′-Tetramethyl-p-phenylenediamine and 1,2,4,5-Tetracyanobenzene

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Abstract
The crystal structure of the 1 : 1 complex formed between N, N, N′ N′-tetramethyl-P-phenylenediamine and 1,2,4,5-tetracyanobenzene has been determined by X-rays at room temperature. The crystals are triclinic with one formula unit of the complex in a cell of dimensions: a=7.654 Å, b=8.041 Å, c=7.462 Å, α=96.7°, β=85.9° and γ=101.3°. The space group is P\bar1. The structure has been solved by three-dimensional Fourier and least-squares methods. The component molecules are stacked alternately in infinite columns along the c-axis. The structure does not seem to show the usual π–π interaction between the two aromatic rings, but indicates the n–π interaction localized between the nitrogen atoms of the donor and the cyano groups of the acceptor. From the direct integration of the electron density, the quantity of the charge transfer from the donor to the acceptor has been estimated to be 0.24 in electron units.