Collect. Czech. Chem. Commun.
1994, 59, 149-158
https://doi.org/10.1135/cccc19940149
X-Ray Structural Study of Terguride SolvatesTerguride Methanol Solvate
Bohumil Kratochvíla, Jiří Novotnýa, Michal Hušáka, Jiří Hadb, Josef Stuchlíkc and Alexandr Jegorovd
a Department of Solid State Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6, Czech Republic
b Central Laboratories, Prague Institute of Chemical Technology, 166 28 Prague 6, Czech Republic
c Galena Co., R. & D., 747 70 Opava-Komárov, Czech Republic
d Galena Co., Research Unit, 370 05 České Budějovice, Czech Republic
Abstract
The structure of the unstable solvate of the semisynthetic ergot derivate terguride methanol solvate C20H28N4O .CH3OH, was solved by direct methods and refined to an R value of 0.093 for 1 462 unique observed reflections. The title alkaloid crystallizes in the orthorhombic space group P212121 with lattice parameters a = 10.438(1), b = 13.200(4), c = 15.495(5) Å, V = 2 134.8(9) Å3, Z = 4. An indole moiety of the terguride molecule is almost perfect planar, ring C has an E6 envelope conformation and ring D adopts a 1C4 chair shape. As found from X-ray powder diffraction study, terguride methanol solvate completely transforms to terguride monohydrate in air during several hours.
