Crystal structure and Hirshfeld surface studies of 4-bromo-2-chlorophenyl (2E)-3-[4-(pentyloxy)phenyl]prop-2-enoate
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Acta Crystallographica E: Crystallographic Communications
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Abstract
The asymmetric unit of the compound C20H20BrClO3 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 R12(6), R22(10), R22(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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Acta Crystallographica E: Crystallographic Communications, 2025, Vol. 81 (10), p912-915
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© The Authors 2025

