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This analysis reveals the crystal structure and key interactions in an isoindole compound, highlighting hydrogen bonding and stacking arrangements.
The molecule of the title compound, C 16 H 9 BrClNO 2 , contains furan and phenyl rings and an isoindole ring system. The phenyl ring subtends a dihedral angle of 10.3 (2)° with the fused ring system. In the crystal, C—H...O hydrogen bonds link the molecules into a two-dimensional network nearly parallel to the ab plane, enclosing R 2 2 (6), R 4 4 (12), R 4 4 (14), R 4 4 (18) and R 4 4 (20) ring motifs. π–π stacking between the centroids of parallel rings [centroid–centroid distances = 3.919 (3)–3.695 (3) Å] helps to consolidate the packing. Hirshfeld surface analysis revealed that the most important contributions for the crystal packing are from H...H (21.2%), H...Cl/Cl...H (14.7%), H...O/O...H (13.9%), H...C/C...H (13.1%), H...Br/Br...H (12.3%) and C...C (11.6%) interactions.
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Alekseeva et al. (2025) studied this question.
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