The crystal used for structure determination contained, along with the title compound, CHBrNO, an admixture [0.0324 (11)] of its 7-bromo isomer. The 2,3-di-hydro-1-indole ring system is nearly planar, while the conformation of the 4-pyran ring is close to a flattened boat. The mean planes of these fragments form a dihedral angle of 86.67 (9)°. The carboxyl-ate group lies near the plane of 4-pyran, its orientation is stabilized by an intra-molecular C-H⋯O contact. In the crystal, the mol-ecules are connected into layers by N-H⋯N and N-H⋯O hydrogen bonds. The most important contributions to the crystal packing are from H⋯H (33.1%), O⋯H/H⋯O (16.3%), N⋯H/H⋯N (12.1%), Br⋯H/H⋯Br (11.5%) and C⋯H/H⋯C (10.6%) inter-actions.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9443792 | PMC |
http://dx.doi.org/10.1107/S2056989022008271 | DOI Listing |
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