Acta Cryst. (2002). E58, o120-o122  [ doi:10.1107/S160053680200003X ]

2,4,6,8,10,12-Hexabenzyl-5-(nitromethylene)-2,4,6,8,10,12-hexaazatricyclo[7.3.0.0^3,7]dodecane

R. D. Gilardi and R. J. Butcher

Abstract: The title compound, C₄₉H₄₉N₇O₂, is a crowded tricyclic heterocycle substituted with six benzyl groups. It is related to the hexaazaisowurtzitane family of high-density, high-energy polycyclic cage compounds. The central six-membered ring adopts a boat conformation which minimizes the steric repulsion of the six benzyl substituents. The nitromethylene substituent on the methylene C atom of one of the five-membered rings has a considerable influence on the metric parameters of that ring. From the bond distances in the nitro group and the five-membered ring it appears that the molecule is zwitterionic, rather than neutral, in the vicinity of the nitro group.

Online 11 January 2002

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