The Structure of 5,10-Dihydro-5,10-diethylphenaziniumyl (E2P+)-2,2′-(2,5-cyclohexadiene-1,4-diylidene)-bispropanedinitrilate(TCNQ-) and its Difference to the Phenazine Doped Species E2P-P-(TCNQ)2 (P = Phenazine)

Abstract

Phenazine free E2P-TCNQ, C28H22N6, Mr = 442.53 is monoclinic, P21/c, a = 10.875(3), b = 14.679(4), c = 14.526(2) Å, β = 90.90(2)°, V = 2321.9 Å3 , Z = 4, dc = 1.27 Mgm-3 , the compound doped with 50% phenazine, E2P-P-(TCNQ)2 C52H34N12, Mr = 826.93, is triclinic, P1̅, a = 7.739(3), b = 15.899(6), c = 17.037(7) Å, α = 83.44(3), β = 88.34(3), γ = 83.19(3)°, V = 2067.7 Å, Z = 2, dc= 1.33 Mgm-3. E2P-TCNQ was refined to R = 0.066 for 1880 reflections. It consists of planar TCNQ anions and bent E2P cations (dihedral angle 17.7° along the line N-N) arranged in regular mixed stacks along c. The structure of E2P-P-(TCNQ)2 could be solved principally, but did not refine well (R = 0.165 for 1206 reflections). Regular segregated stacks of the phenazine and the TCNQ moieties are formed, and along the cationic stack the E2P+ cations and the neutral phenazine molecules alternate.