Acta Cryst. (2004). E60, o291-o293  [ doi:10.1107/S1600536804001710 ]

1-{2-[4-(2,4-Dinitrophenyl)piperazin-1-yl]ethyl}-4-aza-1-azoniabicyclo[2.2.2]octane chloride

W. Clegg, B. T. Golding, R. W. Harrington and R. Scott

Abstract: The title compound, C₁₈H₂₇N₆O₄⁺·Cl^-, is the product of addition of two molecules of DABCO (1,4-diazabicyclo[2.2.2]octane) to one molecule of 1-chloro-2,4-dinitrobenzene. One of the DABCO molecules undergoes ring opening in the reaction, to give a piperazine ring, one N atom of which is connected to a 2,4-dinitrophenyl group, while the other is connected to an intact DABCO moiety via an ethylene linkage. The displaced chloride serves as counter-ion to balance the positive charge on the DABCO quaternary ammonium centre. The crystal structure determination confirms the structure deduced from NMR spectroscopy. Molecular dimensions are unexceptional.

Online 30 January 2004

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