CRYSTAL-STRUCTURE OF A BENZENE SOLVATE OF -METHOXYCARBONYLPHENYL)OXYCARBONYLAZIRIDINO-[2',3' 1,2]-[60]FULLERENE/

The crystal structure of xycarbonylphenyl)oxycarbonylaziridino-[2',3': 1,2]- [60]fullerene was determined. The solution of the structure fail ed by direct methods, but succeeded by means of the program system DIR DIF-96. The asymmetric unit contains two fullerene molecules and one b enzene molecule. The [1 + 2] cycloaddition leads to the formation of e longated 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) Angstrom and 1.385(6) Angstrom] are close to those determined by electron diffr action [1.458(6) Angstrom and 1.40(1) Angstrom]. Due to the binding of the aziridino addend, the fullerene cage be comes slightly distorted relative to a free C-60 The bridged atoms 'stand out' of the C-60 surf ace by approximately 0.2 Angstrom. The shortest stacking distance for the fullerene spheres is the a cell translation. We can consider the p arallel stacks, formed by the two independent molecules, as a layer th at contains also most of the substituents atoms.