Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 8 (August 2002)

Acta Cryst. (2002). C58, o503-o506 [doi:10.1107/S0108270102011915]

Two optically active isoquinoline derivatives

A. Gzella, D. Brózda, L. Koroniak and M. D. Rozwadowska

Abstract: In the two title optically active tetrahydroisoquinoline derivatives, namely 3-hydroxymethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide methanol hemisolvate, C₁₆H₁₈NO⁺·Br^-·0.5CH₃OH, (IIb), and 2-formyl-3-hydroxymethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline, C₁₇H₁₇NO₂, (III), the absolute configurations have been confirmed as 3R,4R by structure refinement using Bijvoet-pair reflections. The hydroxymethyl and phenyl groups in (IIb) are oriented in equatorial and pseudo-equatorial positions, respectively, whereas in (III), the corresponding groups are in axial and pseudo-axial positions, respectively; the hydroxymethyl and phenyl groups are trans with respect to one another in both structures. The heterocyclic rings in (IIb) and (III) adopt envelope conformations inverted with respect to each other. In both structures, the molecules are linked through hydrogen bonds.

Formula: C₁₆H₁₈NO⁺·Br^-·0.5CH₄O and C₁₇H₁₇NO₂

Online 20 July 2002


	Structure factor file (CIF format) (138.8 kbytes) Contains datablock IIb

	Structure factor file (CIF format) (255.4 kbytes) Contains datablock III

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