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http://hdl.handle.net/2289/8693| Title: | Crystal structure and Hirshfeld surface analysis of 4-bromo-2-chlorophenyl (E)-3-[4-(undecyloxy)phenyl]acrylate |
| Authors: | Devarajegowda, H C Palakshamurthy, B S Kumar, H Anil Srinivasa, H T Kumara, M Harish |
| Keywords: | crystal structure 4-bromo-2-chlorophenyl Hirshfeld surface |
| Issue Date: | Sep-2025 |
| Publisher: | Acta Crystallographica E: Crystallographic Communications |
| Citation: | Acta Crystallographica E: Crystallographic Communications, 2025, Vol. 81 (9), p836-839 |
| Abstract: | In the title compound, C26H32BrClO3, 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 R22(10) motifs. The molecular structure is associated with an inversion centre and connected through two symmetrical C—H⋯O interactions, forming R22(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. |
| Description: | Open Access. |
| URI: | http://hdl.handle.net/2289/8693 |
| ISSN: | 2056-9890 |
| Alternative Location: | https://doi.org/10.1107/S2056989025007078 |
| Copyright: | © The Authors 2025 |
| Appears in Collections: | Research Papers (SCM) |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| 2025_Acta Crystallographica E_Vol 81 (9)_p836-839.pdf Restricted Access | Open Access | 5.17 MB | Adobe PDF | View/Open Request a copy |
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