Crystal structure of a benzene solvate of N-(4-methoxycarbonylphenyl)oxycarbonylaziridino-[2 ',3 ': 1,2]-[60]fullerene
Ramm M, Luger P, Strumpel M, Beurskens G, Averdung J, Mattay J
ZEITSCHRIFT FUR KRISTALLOGRAPHIE 213 (1): 69-74 1998

Abstract:
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) Angstrom and 1.385(6) Angstrom] are close to those determined by electron diffraction [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 surface by approximately 0.2 Angstrom. 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.