Crystal structure of a benzene solvate of N-(4-methoxycarbonylphenylOoxycarbonylaziridino-[2′,3′: 1,2]-[60]fullerene
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 C60 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 C60. The bridged atoms ‘stand out’ of the C60 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.
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Artikel in diesem Heft
- A grid search procedure of positioning a known molecule in an unknown crystal structure with the use of powder diffraction data
- On the indexing of 3T mica polytype
- Symmetry analysis and the atomic distortions of the phase transitions in CsZnPO4
- The magnetic structure of braunite Mn2+Mn3+6O8/SiO4
- Amplitude sine modulated magnetic structures of DyPtGe2
- Crystal structures of di-tin-hexa(seleno)hypodiphosphate, Sn2P2Se6, in the ferroelectric and paraelectric phase
- Structure investigations of Tl(I)-arsenates(V): Tl3(AsO4), Tl2Cu(I)(AsO4) and TlCu(II)2(AsO4)(AsO3OH)
- Pulverdiffraktometrische Untersuchungen am System Sr3−xCaxAl2O6 sowie Einkristallstrukturanalysen für die Fälle x = 1,395(8), 1,62(1) und 2,12(1)
- anti-3,7-Bis(methylbenzyl)-3,7-diaza-10-oxa[3.3.3]-propellanium diiodide monohydrate, C24H34I2N2O2 (1) and 3-benzyl-7,10-bis(methylbenzyl)-3,7,10-triaza[3.3.3]-propellanium diiodide · 0.5 CH3CN · 0.72 H2O, C32H42.9I2N3.5O0.72 (2). Moieties based on I−…H2O…I− interactions
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- Crystal structure of a benzene solvate of N-(4-methoxycarbonylphenylOoxycarbonylaziridino-[2′,3′: 1,2]-[60]fullerene
