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1-{2-[4-(2,4-Dinitrophenyl)piperazin-1 -yl]ethyl}-4-aza-1-azoniabicyclo[2. 2.2]octane chloride

Lookup NU author(s): Emeritus Professor Bill CleggORCiD, Emeritus Professor Bernard Golding, Dr Ross Harrington, Dr Richard Scott


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The title compound, C18H27N6O 4+·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. © 2004 International Union of Crystallography Printed in Great Britain - all rights reserved.

Publication metadata

Author(s): Clegg W, Golding BT, Harrington RW, Scott R

Publication type: Article

Publication status: Published

Journal: Acta Crystallographica Section E: Structure Reports Online

Year: 2004

Volume: 60

Issue: 2

Pages: o291-o293

Print publication date: 01/02/2004

ISSN (print): 1600-5368

ISSN (electronic):

Publisher: Wiley-Blackwell


DOI: 10.1107/S1600536804001710


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