Crystal Structures of Ergot Alkaloid Derivatives. Ergometrine Maleate and Methylergometrine Maleate

Author:

Čejka Jan,Hušák Michal,Kratochvíl Bohumil,Jegorov Alexandr,Cvak Ladislav

Abstract

Two ergot alkaloid derivatives were examined by X-ray diffraction techniques. The crystal and molecular structure of ergometrine maleate (1) was evaluated from single-crystal data and the molecular structure of related methylergometrine maleate (2) was obtained by molecular modelling. The measured and calculated X-ray powder patterns of 1 and 2 were compared. Derivative 1 crystallizes in the orthorhombic space group P212121 with a = 5.7112(7) Å, b = 12.337(2) Å, c = 33.276(6) Å, Z = 4, V = 2 344.5(6) Å3. Derivative 2 is nearly isostructural with 1, it has slightly expanded unit cell, a = 5.724(2) Å, b = 12.762(6) Å, c = 33.25(2) Å, Z = 4, V = 2 428(1) Å3. No effect of an additional methyl group on the molecular packing of 2 was found.

Publisher

Institute of Organic Chemistry & Biochemistry

Subject

General Chemistry

Cited by 6 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Crystallographic and NMR Investigation of Ergometrine and Methylergometrine, Two Alkaloids from Claviceps Purpurea;Molecules;2020-01-14

2. Lumi-ergometrine – structural identification and occurrence in sclerotia;Mycotoxin Research;2011-11-18

3. Ergometrinine;Acta Crystallographica Section E Structure Reports Online;2010-08-11

4. Methylergometrine maleate from synchrotron powder diffraction data;Acta Crystallographica Section E Structure Reports Online;2009-11-28

5. Synthesis and Crystal Structure of Pergolide Sulfoxide;Collection of Czechoslovak Chemical Communications;1998

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