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Updated: Jan 18, 2026
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Published on: February 15, 2016
Crystal structure and Hirshfeld surface analysis of 4-bromo-2-chloro-phenyl (E)-3-[4-(undec-yloxy)phen-yl]acrylate
H C Devarajegowda1, B S Palakshamurthy2, H Anil Kumar3
1Department of Physics Yuvaraja's College University of Mysore,Mysore 570005 Karnataka India.
Abstract:
In the title compound, C26H32BrClO3, the dihedral angle between the 4-bromo-2-chloro-phenyl ring and the aromatic ring of (alk-yloxy)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, inter-molecular C-H⋯O hydrogen bonding links the mol-ecules into cyclic hydrogen-bonded inversion dimers with R 2 2(10) motifs. The mol-ecular structure is associated with an inversion centre and connected through two symmetrical C-H⋯O inter-actions, forming R 2 2(10) inversion dimer motif. The packing is further consolidated by C-H⋯π and C-Cl⋯π inter-actions. 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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