Structures of three electron donor-acceptor complexes of dibenz[a,h]anthracene (DBA).
(I) Dibenz[a,h]anthracene-1,3,5-trinitrobenzene (1/2) (DBA-TNB), C22H14.2C6H3N3O6, M(r) = 704.57, monoclinic, P2(1)/a, a = 25.744 (3), b = 7.889 (1), c = 7.442 (1) A, beta = 91.61 (1) degree, V = 1510.8 (4) A3, Z = 2, Dx = 1.549 Mg m-3, lambda(Cu K alpha) = 1.5418 A, mu = 0.978 mm-1, F(000) = 724, T = 293 K, R = 0.043 for 2619 data; (II) dibenz[a,h]-anthracene-pyromellitic dianhydride (1/1) (DBA-PMDA), C22H14.C10H2O6, M(r) = 496.47, monoclinic, P2(1)/n, a = 20.784 (2), b = 7.357 (1), c = 7.524 (1) A, beta = 97.71 (1) degree, V = 1140.0 (3) A3, Z = 2, Dx = 1.45 Mg m-3, lambda(Cu K alpha) = 1.5418 A, mu = 0.783 mm-1, F(000) = 512, T = 293 K, R = 0.042 for 1514 data; (III) dibenz[a,h]anthracene-1,8:4,5-naphthalenetetracarboxylic dianhydride (1/1) (DBA-NTDA), C22H14.C14H4O6, M(r) = 546.54, monoclinic, P2(1)/a, a = 19.991 (4), b = 8.324 (2), c = 7.821 (2) A, beta = 105.06 (2) degrees, V = 1256.8 (5) A3, Z = 2, Dx = 1.444 Mg m-3, lambda(Cu K alpha) = 1.5418 A, mu = 0.765 mm-1, F(000) = 564, T = 293 K, R = 0.050 for 1982 data. The donor DBA molecules, located on symmetry centers, stack alternately with the acceptor molecules. The stacks pack in a herringbone motif along the cell axis.
Institute for Cancer Research, Fox Chase Cancer Center, Philadelphia, PA 19111.
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Zacharias
D001551:Benz(a)Anthracenes / Q000737:chemistry*; D002273:Carcinogens / Q000737:chemistry*; D003461:Crystallography; D004583:Electrons; D008958:Models, Molecular; D012542:Scattering, Radiation; D014961:X-Ray Diffraction
D001551:Benz(a)Anthracenes; D002273:Carcinogens; C026486:1,2,5,6-dibenzanthracene