title: A charge-transfer complex of benzene with a highly twisted perylene derivative.
abstract: 2C6H6.C26H6Cl8N2O4, benzene-1,2,5,6,7,8-11,12-octachloro-N,N'-dimethylperylene-3 ,4:9,10-bis- (dicarboximide) (Cl8DMP) (2/1), Mr = 850.20, orthorhombic, Pna2(1), a = 23.076 (2), b = 7.2492 (6), c = 20.277 (2) A, V = 3392.0 (8) A3, Z = 4, Dm = 1.69 (1), Dx = 1.665 g cm-3, mu (Mo K alpha, lambda = 0.71073 A) = 7.1 cm-1, F(000) = 1712, T = 297 (1) K, RF = 0.061 for 2134 observed reflections. The structure contains alternating benzene and Cl8DMP molecules stacked along b to form a 2:1 donor-acceptor complex. The Cl8DMP molecule is highly twisted as a result of short intramolecular bay Cl...Cl contacts [3.109 (3), 3.136 (3) A]. The central ring of the perylene fragment is substantially distorted from planarity; internal torsion angles range from 16 (1) to 32 (1) degrees.
authors.affiliation: Rutgers, State University of New Jersey, New Brunswick 08903.
authors.forename: M
authors.initials: M
authors.lastname: Sadrai
authors.forename: G R
authors.initials: GR
authors.lastname: Bird
authors.forename: J A
authors.initials: JA
authors.lastname: Potenza
authors.forename: H J
authors.initials: HJ
authors.lastname: Schugar
mesh_terms: D001551:Benz(a)Anthracenes; D001554:Benzene; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D015394:Molecular Structure; D010569:Perylene / Q000031:analogs & derivatives; D014961:X-Ray Diffraction
chemical_list: D001551:Benz(a)Anthracenes; C064475:benzene-1,2,5,6,7,8,11,12-octachloro-N, N'-dimethylperylene-3,4-9,10-bis(dicarboximide); D010569:Perylene; D001554:Benzene