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

Crystals

Gerhard Laus¹  Volker Kahlenberg²  Klaus Wurst¹  Michael Hummel¹ 

[1] Faculty of Chemistry and Pharmacy, University of Innsbruck, 6020 Innsbruck, Austria;Institute of Mineralogy and Petrography, University of Innsbruck, 6020 Innsbruck, Austria

关键词: 5-aminotetrazolate;    DABCO;    hydrate;    hydrogen bond;   

DOI  :  10.3390/cryst2010096

来源: mdpi

【 摘 要 】

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 (P2₁/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 (P2₁/c, R_gt = 0.042) features DABCO triples and clusters of four tetrazolate ions in a network of water molecules.

【 授权许可】

CC BY   
© 2012 by the authors; licensee MDPI, Basel, Switzerland.