Crystal and molecular structure of the 2 : 3 complex of N-methylphenazinium with ααα′α′-tetracyanoquinodimethane, [(nmp)2]2+[(tcnq)3]2–

Abstract

Crystals of the title compound (I) are triclinic with reduced cell dimensions a= 17.360(15), b= 7.695(6), c= 9.858 Å, α= 71.65(7), β= 76.08(8), γ= 86.92(8)°, Z= 1. The structure was solved from a three-dimensional Patterson function and refined in space group P to 0.105, by use of 2 346 diffractometer data. The tcnq units form triads with the central planar unit on a centre of symmetry. No distinction, based on bond lengths, can be made between charged and neutral molecules. The non-planar nmp⁺ ion retains an approximate mirror plane through the two nitrogen atoms and there are two different C–N bond lenghts (1.335 and 1.371 Å) in the central ring. The crystal structure is built up of tcnq triads which repeat along the c axis while the holes are filled with centrosymmetrically related pairs of nmp⁺ ions. Within the triads the separation between consecutive units is ca. 3.15 Å and two consecutive triads are separated by ca. 3.26 Å.