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

✍ Scribed by Clegg, William ;Golding, Bernard T. ;Harrington, Ross W. ;Scott, Richard

Publisher: International Union of Crystallography
Year: 2004
Tongue: English
Weight: 189 KB
Volume: 60
Category: Article
ISSN: 1600-5368
DOI: 10.1107/s1600536804001710

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✦ Synopsis

ÁCl À , is the product of addition of two molecules of DABCO (1,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 con®rms the structure deduced from NMR spectroscopy. Molecular dimensions are unexceptional.

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

✦ Synopsis

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