Structures of 1,4-Diazabicyclo[2,2,2]Octane Diacetylene Disalicylate and Nitrate

Two salts of 1,4-diazabicyclo[2.2.2]octane (dabco) are synthesized. The first is dabco diacetylenedisalicylate (1) and is characterized by the formation of 1D triple helices. In them, doubly protonated dabco cations link diacetylene disalicylate anions into zigzag-like helices by hydrogen and ionic bonds, and water molecules combine these three single chains into triple ones via hydrogen bonds formed. Rigid anions are drastically bent in the structure of 1 because of skirting around bulky dabco cations. The structure of the second salt (dabco nitrate (2)) contains hydrogen bonds between single protonated dabco molecules and nitrate anions. The second nitrogen atom is not protonated, obtained nitrate is single-substituted basic dabco salt, and a network of hydrogen bonds is absent in it. The ion packing of 2 can be described by a model of 0D ion pairs rather than the space ionic lattice.