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1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates
Faculty of Chemistry and Pharmacy, University of Innsbruck, 6020 Innsbruck, Austria
Institute of Mineralogy and Petrography, University of Innsbruck, 6020 Innsbruck, Austria
* Author to whom correspondence should be addressed.
Received: 10 January 2012; in revised form: 18 January 2012 / Accepted: 19 January 2012 / Published: 6 February 2012
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
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MDPI and ACS Style
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.
Laus G, Kahlenberg V, Wurst K, Hummel M, Schottenberger H. 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates. Crystals. 2012; 2(1):96-104.
Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig. 2012. "1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates." Crystals 2, no. 1: 96-104.