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Crystals  2012 

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

DOI: 10.3390/cryst2010096

Keywords: 5-aminotetrazolate, DABCO, hydrate, hydrogen bond

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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, R gt = 0.041) and 1:2 ( P, R gt = 0.038) salts form hydrogen-bonded layers of anions and cations. The monohydrate of the 1:1 compound ( P2 1/ c, R gt = 0.038) shows infinite chains of DABCO cations and an undulated layer of anions and water molecules. The octahydrate of the 3:2 compound ( P2 1/ c, R gt = 0.042) features DABCO triples and clusters of four tetrazolate ions in a network of water molecules.

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