与抗癌药物安吖啶相关的醌亚胺代谢物的结构。
Structures of quinone imine metabolites related to the anti-cancer drug amsacrine.
作者信息
Clark G R, Robinson K, Denny W A, Lee H H
机构信息
Department of Chemistry, University of Auckland, New Zealand.
出版信息
Acta Crystallogr B. 1993 Apr 1;49 ( Pt 2):342-7. doi: 10.1107/s0108768192009169.
(5): N-(9-Acridinyl)-3-methoxy-1,4-benzoquinone monoimine, C20H14N2O2, M(r) = 314.3, monoclinic, P2(1)/c, a = 13.451 (8), b = 7.007 (4), c = 17.864 (12) A, beta = 117.26 (4) degrees, V = 1497 (2) A3, Z = 4, Dm = 1.36 (1), Dx = 1.395 g cm-3, Mo K alpha, lambda = 0.71069 A, mu = 0.99 cm-1, F(000) = 656, T = 138 (5) K, R = 0.049 for 1556 reflections. (8): N-(9-Acridinyl)-2-methoxy-1,4- benzoquinone monoimine, C20H14N2O2, M(r) = 314.3, triclinic, P1, a = 9.365 (1), b = 13.318 (2), c = 6.918 (3) A, alpha = 96.45 (3), beta = 105.30 (2), gamma = 110.11 (1) degrees, V = 761.6 (4) A3, Z = 2, Dm = 1.35 (1), Dx = 1.371 g cm-3, Mo K alpha, lambda = 0.71069 A, mu = 0.98 cm-1, F(000) = 328, T = 292 (1) K, R = 0.075 for 1009 reflections. (13): N-(9-Acridinyl)-5-dimethylamino-2- methoxy-1,4-benzoquinone monoimine, C22H19N3O2, M(r) = 357.4, triclinic, P1, a = 8.091 (7), b = 10.078 (2), c = 11.716 (3) A, alpha = 108.39 (2), beta = 99.63 (4), gamma = 95.87 (3) degrees, V = 881.4 (9) A3, Z = 2, Dm = 1.33 (1), Dx = 1.347 g cm-3, Mo K alpha, lambda = 0.71069 A, mu = 0.95 cm-1, F(000) = 376, T = 173 (5) K, R = 0.034 for 1460 reflections. The molecular geometries are described and discussed.
(5)：N-(9-吖啶基)-3-甲氧基-1,4-苯醌单亚胺，C20H14N2O2，M(r)=314.3，单斜晶系，P2(1)/c，a = 13.451(8)，b = 7.007(4)，c = 17.864(12) Å，β = 117.26(4)°，V = 1497(2) Å3，Z = 4，Dm = 1.36(1)，Dx = 1.395 g cm-3，钼Kα，λ = 0.71069 Å，μ = 0.99 cm-1，F(000)=656，T = 138(5)K，对于1556个反射，R = 0.049。(8)：N-(9-吖啶基)-2-甲氧基-1,4-苯醌单亚胺，C20H14N2O2，M(r)=314.3，三斜晶系，P1，a = 9.365(1)，b = 13.318(2)，c = 6.918(3) Å，α = 96.45(3)，β = 105.30(2)，γ = 110.11(1)°，V = 761.6(4) Å3，Z = 2，Dm = 1.35(1)，Dx = 1.371 g cm-3，钼Kα，λ = 0.71069 Å，μ = 0.98 cm-1，F(000)=328，T = 292(1)K，对于1009个反射，R = 0.075。(13)：N-(9-吖啶基)-5-二甲基氨基-2-甲氧基-1,4-苯醌单亚胺，C22H19N3O2，M(r)=357.4，三斜晶系，P1，a = 8.091(7)，b = 10.078(2)，c = 11.716(3) Å，α = 108.39(2)，β = 99.63(4)，γ = 95.87(3)°，V = 881.4(9) Å3，Z = 2，Dm = 1.33(1)，Dx = 1.347 g cm-3，钼Kα，λ = 0.71069 Å，μ = 0.95 cm-1，F(000)=376，T = 173(5)K，对于1460个反射，R = 0.034。对分子几何结构进行了描述和讨论。
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