This analysis reveals the crystal structure and hydrogen bonding motifs in a new 4-bromo-2-chlorophenyl acrylate compound, illustrating its molecular geometry.
In the title compound, C 26 H 32 BrClO 3 , the dihedral angle between the 4-bromo-2-chlorophenyl ring and the aromatic ring of (alkyloxy)phenyl moiety is found to be 77.21 (2)°. The torsion angle associated with the ester moiety is 173.2 (2)° which is anti-periplanar . In the crystal, intermolecular C—H...O hydrogen bonding links the molecules into cyclic hydrogen-bonded inversion dimers with R 2 2 (10) motifs. The molecular structure is associated with an inversion centre and connected through two symmetrical C—H...O interactions, forming R 2 2 (10) inversion dimer motif. The packing is further consolidated by C—H...π and C—Cl...π interactions. Hirshfeld surface analysis showed that the most significant contributions are from H...H (54.0%), C...H/H...C (15.2%), Br...H/H...Br (10.9%), O...H/H...O (7.8%) and Cl...H/H...Cl (2.6%) contacts.
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Devarajegowda et al. (2025) studied this question.
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