ERGOTAMINE TARTRATE BIS(ETHANOL) SOLVATE

Authors
PAKHOMOVA S ONDRACEK J HUSAK M KRATOCHVIL B JEGOROV A STUCHLIK J
Citation
S. Pakhomova et al., ERGOTAMINE TARTRATE BIS(ETHANOL) SOLVATE, Acta crystallographica. Section C, Crystal structure communications, 51, 1995, pp. 308-311
Citations number
6
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
51
Year of publication
1995
Part
2
Pages
308 - 311
Database
ISI
SICI code
0108-2701(1995)51:<308:ETBS>2.0.ZU;2-U
Abstract
The molecule of the title compound 12'-hydroxy-2'-methyl-3',6',18-trio xo-5' alpha-(phenylmethyl)ergotamanium tartrate bis(ethanol) solvate, C33H36N5-O5+.0.5C4H4O6(2-).2C2H6O, consists of two different substitut ed polycyclic systems connected by an amide linkage. The partial doubl e-bond character of the C16-N3 amide bond results in conformational ri gidity of the molecule. The ergotamine C, F and G rings have regular e nvelope conformations and the D ring possesses a predominant half-chai r conformation. An intramolecular O5-HO5...O1 hydrogen bond was found in the structure. The ergotamine and tartrate molecules are joined tog ether through N2-HN2...O6(x, y + 1, z) and N3-HN3...O8(-x, -y +1, z) h ydrogen bonds.