title: Structure studies of mitomycins. III. Structure of M-83.
abstract: 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.
authors: Tokyo Research Laboratories, Kyowa Hakko Kogyo Co. Ltd, Japan.
authors: N
authors: N
authors: Hirayama
mesh_terms: D000818:Animals; D000903:Antibiotics, Antineoplastic / Q000737:chemistry* / Q000627:therapeutic use; D003460:Crystallization; D007941:Leukemia P388 / Q000188:drug therapy; D016685:Mitomycin; D008937:Mitomycins / Q000737:chemistry* / Q000627:therapeutic use; D015394:Molecular Structure; D013816:Thermodynamics; D014961:X-Ray Diffraction
chemical_list: D000903:Antibiotics, Antineoplastic; D008937:Mitomycins; D016685:Mitomycin; C027281:7-N-(4-hydroxyphenyl)mitomycin C