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

1,2,3,4-四氢异喹啉-2-鎓(2S,3S)-3-羧氧基-2,3-二羟基丙酸酯一水合物的晶体结构

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作者:Seidel Rüdiger W, Kolev Tsonko M
The crystal structure of 1,2,3,4-tetra-hydro-isoquinolin-2-ium (2S,3S)-3-carb-oxy-2,3-di-hydroxy-propano-ate monohydrate, C(9)H(12)N(+)·C(4)H(5)O(6) (-)·H(2)O, at 115†K shows ortho-rhom-bic symmetry (space group P2(1)2(1)2(1)). 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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