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Crystals 2012, 2(1), 96-104; doi:10.3390/cryst2010096
Article

1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates

1, 2, 1, 1 and 1,*
1 Faculty of Chemistry and Pharmacy, University of Innsbruck, 6020 Innsbruck, Austria 2 Institute of Mineralogy and Petrography, University of Innsbruck, 6020 Innsbruck, Austria
* Author to whom correspondence should be addressed.
Received: 10 January 2012 / Revised: 18 January 2012 / Accepted: 19 January 2012 / Published: 6 February 2012
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Abstract

The crystal structures of four salts of 1,4-diazabicyclo[2.2.2]octane (DABCO) and 5-aminotetrazole are described. Anhydrous 1:1 (Pbca, Rgt = 0.041) and 1:2 (P, Rgt = 0.038) salts form hydrogen-bonded layers of anions and cations. The monohydrate of the 1:1 compound (P21/c, Rgt = 0.038) shows infinite chains of DABCO cations and an undulated layer of anions and water molecules. The octahydrate of the 3:2 compound (P21/c, Rgt = 0.042) features DABCO triples and clusters of four tetrazolate ions in a network of water molecules.
Keywords: 5-aminotetrazolate; DABCO; hydrate; hydrogen bond 5-aminotetrazolate; DABCO; hydrate; hydrogen bond
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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Laus, G.; Kahlenberg, V.; Wurst, K.; Hummel, M.; Schottenberger, H. 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates. Crystals 2012, 2, 96-104.

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