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The crystal structure of  N -(4-methoxycarbonylphenyl)oxycarbonylaziridino-[2′,3′: 1,2]-[60] fullerene was determined. The solution of the structure failed by direct methods, but succeeded by means of the program system DIRDIF-96. The asymmetric unit contains two fullerene molecules and one benzene molecule. The [1 + 2] cycloaddition leads to the formation of elongated bonds between the bridged C atoms. The average values of the [5, 6] and [6, 6] bond lengths in the C 60  spheres [1.448(6) Å and 1.385(6) Å] are close to those determined by electron diffraction [1.458(6) Å and 1.40(1) Å]. Due to the binding of the aziridino addend, the fullerene cage becomes slightly distorted relative to a free C 60 . The bridged atoms ‘stand out’ of the C 60  surface by approximately 0.2 Å. The shortest stacking distance for the fullerene spheres is the  a  cell translation. We can consider the parallel stacks, formed by the two independent molecules, as a layer that contains also most of the substituents atoms.

Crystal structure of a benzene solvate of N -(4-methoxycarbonylphenylOoxycarbonylaziridino-[2′,3′: 1,2]-[60]fullerene