Structure of fruticuline B: A new natural anthracene quinodimethide of abietanoid origin

Autor: Rubén A. Toscano, Manuel Soriano-García, Lydia Rodríguez-Hahn, Luis Estebanes, Baldomero Esquivel
Rok vydání: 1987
Předmět:
Zdroj: Journal of Crystallographic and Spectroscopic Research. 17:761-770
ISSN: 1572-8854
0277-8068
DOI: 10.1007/bf01160740
Popis: The title compound is C19H18O4·1/2 CH3OH, triclinic,P¯1,a=9.891(2),b=13.273(4),c=13.860(4) A,a=66.47(2),β=86.91(2), and γ=85.59(2)°. The structure was solved by direct methods and refined by least-squares techniques to anR factor of 0.082 for 2282 observed reflections. The X-ray structure uniquely resolves the one remaining ambiguity, namely the assignment of the correct structure4. There are two crystallographically independent molecules (A and B) and one disordered methanol molecule. Both molecular skeletons show small distortions from planarity with inclinations of 1.7 and 4.0° between the outermost rings A/C in molecules A and B, respectively. Intramolecular hydrogen bonds of the form O(3A)-H⋯O(2A) and O(3B)-H⋯O(2B) are observed in molecules A and B, respectively. The molecules are linked by pairs of O(3A)-H⋯O(2B) and O(3B)-H⋯O(2A) hydrogen bonds. The dimerlike structures are stabilized by intermolecular C-H⋯O interactions and van der Waals forces.
Databáze: OpenAIRE
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