Crystal structure of bis(1,4-diazabicyclo[2.2.2]octan-1-ium) thiosulfate dihydrate

Abstract

The crystal structure of the hydrated title salt, 2C6H13N2+·S2O32-·2H2O, contains a centrosymmetric cyclic motif of eight hydrogen-bonded molecular subunits. Two DABCOH+ cations (DABCO = 1,4-diazabicyclo[2.2.2]octane) are linked to two water molecules and two thiosulfate anions via O-H⋯N and O-H⋯O hydrogen bonds, respectively. Two other water molecules close the cyclic motif through O-H⋯O contacts to the first two water molecules and to the two thiosulfate anions. A second pair of DABCOH+ cations is N-H⋯O hydrogen bonded to the two anions and is pendant to the ring. Adjacent cyclic motifs are bridged into a block-like arrangement extending along [100] through O-H⋯O interactions involving the second pair of water molecules and neighbouring thiosulfate anions.