Crystal structure and Hirshfeld surface analysis of 4-bromo-2-chlorophenyl (<i>E</i>)-3-[4-(undecyloxy)phenyl]acrylate
In the title compound, C<sub>26</sub>H<sub>32</sub>BrClO<sub>3</sub>, 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 <i>anti-periplanar</i>. In the crystal, inter-molecular C-H⋯O hydrogen bonding links the mol-ecules into cyclic hydrogen-bonded inversion dimers with <i>R</i> <sup>2</sup> <sub>2</sub>(10) motifs. The mol-ecular structure is associated with an inversion centre and connected through two symmetrical C-H⋯O inter-actions, forming <i>R</i> <sup>2</sup> <sub>2</sub>(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.
Authors
- H. Anil Kumar
- M. Harish Kumar
- H. T. Srinivasa
- B. S. Palakshamurthy
- H.C. Devarajegowda
Institutions
- Raman Research Institute (IN)
- University of Mysore (IN)
- Tumkur University (IN)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-08-12
- DOI
- https://doi.org/10.1107/s2056989025007078
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00