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. 2010 Dec 24;67(Pt 1):o228.
doi: 10.1107/S1600536810053122.

(3S)-2-Benzyl-3-carb-oxy-1,2,3,4-tetra-hydro-isoquinolinium chloride monohydrate

Tricia Naicker, Thavendran Govender, Hendrik G Kruger, Glenn E M Maguire

(3S)-2-Benzyl-3-carb-oxy-1,2,3,4-tetra-hydro-isoquinolinium chloride monohydrate

Tricia Naicker et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C(17)H(18)NO(2) (+)·Cl(-)·H(2)O, a precursor to novel asymmetric catalysts, the N-containing six-membered ring of the tetra-hydro-quinolinium unit assumes a half-boat conformation. In the crystal, inter-molecular O-H⋯O, O-H⋯Cl, N-H⋯Cl and C-H⋯O hydrogen bonds and C-H⋯π inter-actions link the mol-ecules into a three-dimensional network.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
Fig. 2.
Fig. 2.
Partial projection viewed along the a axis, depicting hydrogen bonding from the water molecule and chloride ion. Displacement ellipsoids are drawn at the 50% probability level.
See this image and copyright information in PMC

References

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    1. Naicker, T., Govender, T., Kruger, H. G. & Maguire, G. E. M. (2010). Acta Cryst. E66, o3105. - PMC - PubMed