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1-Methoxy-3-(2-nitro-1-imidazolyl)-2-propanol (misonidazole)
1CRC Biomolecular Structure Unit, Institute of Cancer Research, Sutton, Surrey, England.
Abstract:
C7H11N3O4, Mr = 201, monoclinic, P2(1)/c, a = 6.997 (1), b = 7.862 (1), c = 17.024 (3) A, beta = 97.06 (2) degrees, U = 929.4 (5) A3, Z = 4, D chi = 1.44 Mg m-3, lambda(Cu K alpha) = 1.5418 A, mu = 0.916 mm-1, F(000) = 424, ambient temperature, R = 0.049 for 1324 unique reflections. All bond lengths and angles have normal values and the planes of the nitro group and imidazole ring form a dihedral angle of 7.9 (1) degrees.