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 |
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Hauptverfasser: | , , , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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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. |
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ISSN: | 2056-9890 2056-9890 |
DOI: | 10.1107/S2056989017005680 |