3-Hy­droxy-2-phenyl-2,3,3a,7a-tetra­hydro-1H,5H-pyrano3,2-bpyrrol-5-one: crystal structure and Hirshfeld surface analysis

Zukerman-Schpector J.; Moro A.V.; Santos M.R. dosCorreia C.R.D.Jotani M.M.Tiekink E.R.T.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1H,5H-pyrano3,2-bpyrrol-5-one: crystal structure and Hirshfeld surface analysis

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3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1H,5H-pyrano3,2-bpyrrol-5-one: crystal structure and Hirshfeld surface analysis

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The title isoaltholactone derivative, C13H13NO3, 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, hydroxy-O—H⋯N(amine) hydrogen bonding sustains linear supramolecular chains along the a axis. Chains are linked into a three-dimensional architecture via amine-N—H⋯π(phenyl) and phenyl-C—H⋯O(hydroxy) interactions. The influence of the amine-N—H⋯π(phenyl) contact on the molecular packing is revealed by an analysis of the Hirshfeld surface.

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《Acta Crystallographica Section E: Crystallographic Communications》 |2017年第5期|746-751|共6页
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Zukerman-Schpector J.; Moro A.V.; Santos M.R. dosCorreia C.R.D.Jotani M.M.Tiekink E.R.T.;
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3-Hy­droxy-2-phenyl-2,3,3a,7a-tetra­hydro-1H,5H-pyrano3,2-bpyrrol-5-one: crystal structure and Hirshfeld surface analysis

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3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1H,5H-pyrano3,2-bpyrrol-5-one: crystal structure and Hirshfeld surface analysis