Features of the Сrystal Structure of Benzyl Derivatives of Triacanthine. Effect of Weak Interactions on the Formation of Stable Channel Type Solvates

Abstract

Abstract The alkaloid triacanthine was isolated from Gleditschia triacanthos and its di- and tribenzyl derivatives were synthesized. Both compounds are crystallized in the R-3 space group with same unit cell parameters. A channel is formed in the crystals, in which water molecules with large thermal parameters located on the c axis on H-bonds distances. In the dibenzyl derivative of triacanthine, the prenyl group is disordered in two positions in a ratio of 0.65:0.35, which makes it possible to fill voids in the crystal packing. The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H…H (about 57.9% and 51.4% for di- and tribenzyl derivatives respectively) and H…C/C…H (around 14.9% and 19.2%) interactions.