Hirshfeld surface analysis reveals significant hydrogen bonds and π-π interactions in the crystal structure.
The title molecule, C 16 H 10 BrNO 2 , is essentially planar (r.m.s. deviation = 0.004 Å). In the crystal, molecules are linked by C—H...O and C—H...Br hydrogen bonds, forming ribbons along the b -axis direction. Furthermore, π-π interactions cause the molecules to form ribbons along the [1 0 10̄] 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%) interactions are the main contributors to the crystal packing.
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Alekseeva et al. (2025) studied this question.
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