Collect. Czech. Chem. Commun. 1998, 63, 416-424

Crystal Structures of α- and β-Allocryptopine

Jaromír Mareka, Jiří Dostálb and Jiří Slavíkb

a Laboratory of Biomolecular Structure and Dynamics, Faculty of Science, Masaryk University, 611 37 Brno, Czech Republic
b Department of Biochemistry, Faculty of Medicine, Masaryk University, 662 43 Brno, Czech Republic


Crystals of α- and β-allocryptopine were studied by X-ray diffraction analysis and have been found to be crystal modifications of allocryptopine. They are both monoclinic with a = 18.401(4) Å, b = 7.1590(10) Å, c = 14.084(3) Å, β = 108.98(3)°, P21/c, Z = 4, V = 1754.5(6) Å3 for α-allocryptopine and a = 11.407(2) Å, b = 11.5890(10) Å, c = 14.6673(3) Å, β = 107.82(2)°, P21/n, Z = 4, V = 1845.9(5) Å3 for β-allocryptopine. No major differences in the conformations were found, slight differences are only in the positions of dioxolane rings.

Keywords: α-Allocryptopine; β-Allocryptopine; Isoquinoline alkaloids; Crystal structure; X-Ray diffraction analysis.