3-Hy-droxy-2-phenyl-2,3,3a,7a-tetra-hydro-1 H ,5 H -pyrano[3,2- b ]pyrrol-5-one: crystal structure and Hirshfeld surface analysis

The title isoaltholactone derivative, C H NO , has an NH group in place of the ether-O atom in the five-membered ring of the natural product. The five-membered ring is twisted about the N-C bond linking it to the six-membered ring, which has a half-chair conformation with the O atom connected to the...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2017-05, Vol.73 (Pt 5), p.746
Hauptverfasser: Zukerman-Schpector, Julio, Moro, Angélica V, Dos Santos, Marcelo R, Correia, Carlos Roque D, Jotani, Mukesh M, Tiekink, Edward R T
Format: Artikel
Sprache:eng
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Zusammenfassung:The title isoaltholactone derivative, C H NO , has an NH group in place of the ether-O atom in the five-membered ring of the natural product. The five-membered ring is twisted about the N-C bond linking it to the six-membered ring, which has a half-chair conformation with the O atom connected to the ether-O atom lying above the plane defined by the remaining atoms. The dihedral angle between the mean planes of the rings comprising the fused-ring system is 75.10 (8)°. In the crystal, hy-droxy-O-H⋯N(amine) hydrogen bonding sustains linear supra-molecular chains along the axis. Chains are linked into a three-dimensional architecture amine-N-H⋯π(phen-yl) and phenyl-C-H⋯O(hy-droxy) inter-actions. The influence of the amine-N-H⋯π(phen-yl) contact on the mol-ecular packing is revealed by an analysis of the Hirshfeld surface.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989017005680