Crystal structure of 1,2,3,4-tetra­hydro­isoquinolin-2-ium (2S,3S)-3-carb­oxy-2,3-di­hydroxy­propano­ate monohydrate

Abstract

The crystal structure of 1,2,3,4-tetra­hydro­isoquinolin-2-ium (2S,3S)-3-carb­oxy-2,3- di­hydroxy­propano­ate monohydrate (ortho­rhom­bic crystal system, space group P2₁2₁2₁, Z = 4) features an intricate two-dimensional hydrogen-bond network.

The crystal structure of 1,2,3,4-tetra­hydro­isoquinolin-2-ium (2S,3S)-3-carb­oxy-2,3-di­hydroxy­propano­ate monohydrate, C₉H₁₂N⁺·C₄H₅O₆⁻·H₂O, at 115 K shows ortho­rhom­bic symmetry (space group P2₁2₁2₁). The hydrogen tartrate anions and solvent water mol­ecules form an intricate diperiodic O—H⋯O hydrogen-bond network parallel to (001). The tetra­hydro­isoquinolinium cations are tethered to the anionic hydrogen-bonded layers through N—H⋯O hydrogen bonds. The crystal packing in the third direction is achieved through van der Waals contacts between the hydro­carbon tails of the tetra­hydro­isoquinolinium cations, resulting in hydro­phobic and hydro­philic regions in the crystal structure.