The title isoaltholactone derivative, C(13)H(13)NO(3), 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 75.10â (8)°. In the crystal, hy-droxy-O-Hâ¯N(amine) hydrogen bonding sustains linear supra-molecular chains along the a axis. Chains are linked into a three-dimensional architecture via amine-N-Hâ¯Ï(phen-yl) and phenyl-C-Hâ¯O(hy-droxy) inter-actions. The influence of the amine-N-Hâ¯Ï(phen-yl) contact on the mol-ecular packing is revealed by an analysis of the Hirshfeld surface.
3-Hy-droxy-2-phenyl-2,3,3a,7a-tetra-hydro-1H,5H-pyrano[3,2-b]pyrrol-5-one: crystal structure and Hirshfeld surface analysis.
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作者:Zukerman-Schpector Julio, Moro Angélica V, Dos Santos Marcelo R, Correia Carlos Roque D, Jotani Mukesh M, Tiekink Edward R T
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2017 | 起止号: | 2017 Apr 21; 73(Pt 5):746-751 |
| doi: | 10.1107/S2056989017005680 | ||
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