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  1. Zukerman-Schpector J, Moro AV, Dos Santos MR, Correia CRD, Jotani MM, Tiekink ERT
    Acta Crystallogr E Crystallogr Commun, 2017 May 01;73(Pt 5):746-751.
    PMID: 28529789 DOI: 10.1107/S2056989017005680
    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, hy-droxy-O-H⋯N(amine) hydrogen bonding sustains linear supra-molecular chains along the a axis. Chains are linked into a three-dimensional architecture via 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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