X-Ray Structural Study of Terguride SolvatesTerguride Methanol Solvate

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Title:X-Ray Structural Study of Terguride SolvatesTerguride Methanol Solvate
Creators:
Kratochvíl, Bohumil
Novotný, Jiří
Hušák, Michal
Had, Jiří
Stuchlík, Josef
Jegorov, Alexandr
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 59, 1, pp. 149-158

Abstract

<p>The structure of the unstable solvate of the semisynthetic ergot derivate terguride methanol solvate C<sub>20</sub>H<sub>28</sub>N<sub>4</sub>O .CH<sub>3</sub>OH, was solved by direct methods and refined to an <i>R</i> value of 0.093 for 1&nbsp;462 unique observed reflections. The title alkaloid crystallizes in the orthorhombic space group <i>P2</i><sub>1</sub><i>2</i><sub>1</sub><i>2</i><sub>1</sub> with lattice parameters <i>a</i> = 10.438(1), <i>b</i> = 13.200(4), <i>c</i> = 15.495(5) Å, <i>V</i> = 2 134.8(9) Å<sup>3</sup>, <i>Z</i> = 4. An indole moiety of the terguride molecule is almost perfect planar, ring C has an <i>E</i><sub>6</sub> envelope conformation and ring D adopts a <sup>1</sup><i>C</i><sub>4</sub> chair shape. As found from X-ray powder diffraction study, terguride methanol solvate completely transforms to terguride monohydrate in air during several hours.

Title:X-Ray Structural Study of Terguride SolvatesTerguride Methanol Solvate
Creators:
Kratochvíl, Bohumil
Novotný, Jiří
Hušák, Michal
Had, Jiří
Stuchlík, Josef
Jegorov, Alexandr
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:59
Number:1
Page Range:pp. 149-158
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19940149UNSPECIFIED
ID Code:427
Item Type:Article
Deposited On:06 Feb 2009 17:00
Last Modified:06 Feb 2009 16:00

Citation

Kratochvíl, Bohumil; Novotný, Jiří; Hušák, Michal; Had, Jiří; Stuchlík, Josef; Jegorov, Alexandr (1994) X-Ray Structural Study of Terguride SolvatesTerguride Methanol Solvate. Collection of Czechoslovak Chemical Communications, 59 (1). pp. 149-158. ISSN 0010-0765

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