ALMOND, P; CUTBUSH, S; ISLAM, S; KURODA, R; NEIDLE, S; GANDECHA, B; BROWN, J; (1983) NUCLEIC-ACID BINDING-DRUGS .8. STRUCTURES OF 1-[2-(DIETHYLAMINO)ETHYLAMINO]ANTHRACENE-9,10-DIONE, C20H22N2O2 (I), AND 1,5-BIS[2-(DIETHYLAMINO)ETHYLAMINO]ANTHRACENE-9,10-DIONE, C26H36N4O2(II), MODELS FOR ANTI-TUMOR DRUGS. ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS , 39 (Part 5) 627 - 630. 10.1107/S0108270183005715.

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Abstract

(I) M r = 322.41, P21/n, a = 7.118 (1), b = 26.873(2), c=8.886(1)A, fl=97.74(1)°, ~ V= 1684.3 (6) A 3, Z = 4, D m = 1.27, D x = 1.271 Mg m -3, 2 (Cu Ka) = 1.54178 A,/~ = 6.67 cm -1, F(000) = 688, T= 298 K, R w= 0.049 for 981 unique significant reflections. (II) Mr=436.61, P21/c, a= 15.360 (2), b = 5.245 (1), c= 15.483 (1)A, fl= 94.23 (1) °, V= 1244.0 (5)/~3, Z = 2, D m -- 1.17, D x = 1.165 Mg m -s, 2(Cu Kt~) = 1.54178/k, /t = 5.98 cm -1, F(000) = 472, T= 298 K, R w = 0.090 for 457 unique significant reflections. The chromophore is highly planar in both compounds.

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