Crystal structure and Hirshfeld surface analysis of 4-bromo-6-phenyl-6,7-di-hydro-5<i>H</i>-furo[2,3-<i>f</i>]isoindol-5-one.

ABSTRACT: The title mol-ecule, C₁₆H₁₀BrNO₂, is essentially planar (r.m.s. deviation = 0.004 Å). In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯Br hydrogen bonds, forming ribbons along the b-axis direction. Furthermore, π-π inter-actions cause the mol-ecules to form ribbons along the [1 0 ] and [1 0 10] directions [centroid-to-centroid distances = 3.703 (3), 3.734 (3), 3.703 (3), and 3.734 (3) Å]. According to a Hirshfeld surface analysis, H⋯H (33.8%), O⋯H/H⋯O (15.1%), C⋯H/H⋯C (14.6%), Br⋯H/H⋯Br (13.8%), and C⋯C (11.9%) inter-actions are the main contributors to the crystal packing.

SUBMITTER: Alekseeva KA 

PROVIDER: S-EPMC12412688 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature