The analysis reveals significant hydrogen bonds and dihedral angles between aromatic rings, emphasizing molecular interactions.
The asymmetric unit of the compound C 20 H 20 BrClO 3 contains one independent molecule in which the aromatic rings are oriented at a dihedral angle of 83.30 (2)°. An intramolecular C—H...O contact generates a five-membered S (5) ring motif. In the crystal, C—H...O hydrogen bonds link the molecules through R 1 2 (6), R 2 2 (10), R 2 2 (14) hydrogen-bond motifs. The structure is consolidated by C—H...π interactions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (32.8%), C...H/H...C (28.1%), O...H/H...O (14.0%) Br...H/H...Br (12.5%) and Cl...H/H...Cl (10.6%) interactions.
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Kumar et al. (2025) studied this question.
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