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

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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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) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


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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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