THE MOLECULAR-COMPLEX OF DIBENZ[A,C]ANTHRACENE AND TRINITROBENZENE

The crystal structure of the complex between the potycyclic aromatic h ydrocarbon dibenz[a,c]anthracene and 1,3,5-trinitrobenzene is reported . The crystals are triclinic, space group P (1) over bar with unit cel l dimensions a = 7.277(2) Angstrom, b = 11.237(6) Angstrom, and c = 13 .902(5) Angstrom, alpha = 104.13(4)degrees, beta = 96.04(3)degrees, an d gamma = 95.15(2)degrees. Diffraction data were measured at 121(2) K. The structure was determined and refined to R-1 = 0.046. The structur e consists of layers containing both dibenz[a,c]anthracene and 1,3,5-t rinitrobenzene molecules, interconnected within a layer by C-H ... O i nteractions. Layers stack on one another so that dibenz[a,c]anthracene molecules are sandwiched between 1,3,5-trinitrobenzene molecules and vice versa. The average distance between molecules in these sandwiches is 3.23 Angstrom.