Crystal and molecular structures of N,N'-diheptyl-4,4'-dipyridyl diiodide

The authors have made an x-ray structural investigation of the crystals of N,N'-diheptyl-4,4'-dipyridyl diiodide: space group P1, a = 6.368(3), b = 7.580(2), c = 14.965(4) A, α = 101.44(2), β = 100.79(4), γ = 91.91(3)°, V = 693.7(8) A 3 , Z = 1, R = 0.047. The molecule is planar; in the crystals we find pilewise packing of the cations, while the I − anions play the part of binding atoms. The presence of piles in the compound is confirmed by calculations of the energy of molecular interaction. In the electron reflection spectrum we observe a long-wave band in the region of 460 nm, indicating charge transfer in the crystals, where the shortest I...N distance is 4.386 A