Molecular structure and hydrogen bonding of 1,4-diazoniabicyclo[2.2.2]octane-1,4-diacetate in its crystalline trihydrate and trihydrated hydrochloric acid adduct

Abstract

The crystalline trihydrate and trihydrated hydrochloric acid adduct of a new double betaine, namely, L. 3 H 2 O (1) and L.HCl.3H 2 O (2) [L = - O 2 CCH 2 N + (CH 2 CH 2 ) 3 N + CH 2 CO 2 - ], have been characterized by X-ray crystallography. The double-betaine skeletons of L in (1) and (2) are structurally similar, both adopting an S-shaped conformation with approximate C2 symmetry. Hydrogen bonding between molecular species leads to a two-dimensional layer structure in (1) and a one-dimensional ribbon structure in (2).