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1-{2-4-(2,4-Dinitrophenyl)piperazin-1-ylethyl}-4-aza-1-azoniabicyclo2.2.2octane chloride

Clegg, W; Golding, B.T; Harrington, R.W; Scott, R
Acta Crystallographica Section E: Structure Reports Online , Volume 60 (2): o291 International Union of CrystallographyJan 30, 2004

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1-{2-4-(2,4-Dinitrophenyl)piperazin-1-ylethyl}-4-aza-1-azoniabicyclo2.2.2octane chloride

Abstract

The title compound, C18H27N6O4+.Cl-, is the product of addition of two molecules of DABCO (1,4-diazabicyclo2.2.2octane) 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.
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Title
1-{2-4-(2,4-Dinitrophenyl)piperazin-1-ylethyl}-4-aza-1-azoniabicyclo2.2.2octane chloride
Author(s)
Clegg, W; Golding, B.T; Harrington, R.W; Scott, R
Journal
Acta Crystallographica Section E: Structure Reports Online , Volume 60 (2): o291 International Union of Crystallography – Jan 30, 2004
Publisher
International Union of Crystallography
Copyright
Copyright (c) 2004 International Union of Crystallography
ISSN
1600-5368
eISSN
1600-5368
D.O.I.
10.1107/S1600536804001710
Publisher site
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