Hirayama N
Tokyo Research Laboratories, Kyowa Hakko Kogyo Co. Ltd, Japan.
Acta Crystallogr C. 1990 Oct 15;46 ( Pt 10):1962-4. doi: 10.1107/s0108270190004772.
7-N-(p-Hydroxyphenyl)mitomycin C* (I), C21H22N4O6.H2O, Mr = 444.45, orthorhombic, P2(1)2(1)2(1), a = 8.056 (2), b = 33.832 (9), c = 7.469 (1) A, V = 2036 (1) A3, Z = 4, Dx = 1.45 g cm-3, Cu K alpha, lambda = 1.54184 A, mu = 8.8 cm-1, F(000) = 936, T = 293 K, R = 0.041 for 1923 observed reflections with F greater than 3 sigma (F). Although the overall structure, except the p-hydroxyphenyl group, is similar to mitomycin C, the bond lengths in the quinone ring are significantly influenced by the substituent. The phenyl and quinone rings are nearly planar and the two rings form a dihedral angle of 46.36 (7) degrees. Two quinone O atoms deviate from the least-squares planes of the quinone ring on the same side of the plane.
7 - N -（对羟基苯基）丝裂霉素C*（I），C21H22N4O6·H2O，Mr = 444.45，正交晶系，P2(1)2(1)2(1)，a = 8.056(2)，b = 33.832(9)，c = 7.469(1) Å，V = 2036(1) Å3，Z = 4，Dx = 1.45 g cm-3，Cu Kα，λ = 1.54184 Å，μ = 8.8 cm-1，F(000) = 936，T = 293 K，对于1923个F大于3σ(F)的观测反射，R = 0.041。尽管除对羟基苯基外的整体结构与丝裂霉素C相似，但醌环中的键长受到取代基的显著影响。苯基和醌环几乎是平面的，两个环形成46.36(7)度的二面角。两个醌O原子在平面的同一侧偏离醌环的最小二乘平面。
