Crystal structure of 1,2,3,4-tetra-hydro-isoquinolin-2-ium (2,3)-3-carb-oxy-2,3-di-hydroxy-propano-ate monohydrate.

Acta Crystallogr E Crystallogr Commun

Institute of Molecular Biology "Roumen Tsanev", Bulgarian Academy of Sciences, Acad. G. Bonchev-Str. Bl. 21, Sofia 1113, Bulgaria.

Published: June 2024

The crystal structure of 1,2,3,4-tetra-hydro-isoquinolin-2-ium (2,3)-3-carb-oxy-2,3-di-hydroxy-propano-ate monohydrate, CHN·CHO ·HO, at 115 K shows ortho-rhom-bic symmetry (space group 222). The hydrogen tartrate anions and solvent water mol-ecules form an intricate diperiodic O-H⋯O hydrogen-bond network parallel to (001). The tetra-hydro-isoquinolinium 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 hydro-carbon tails of the tetra-hydro-isoquinolinium cations, resulting in hydro-phobic and hydro-philic regions in the crystal structure.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223702PMC
http://dx.doi.org/10.1107/S2056989024005711DOI Listing

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