Work

Crystal structure and Hirshfeld surface analysis of 4-bromo-2-chlorophenyl ( E )-3-[4-(undecyloxy)phenyl]acrylate

Year: 2025

Type: article

Abstract: 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.

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s2056989025007078

Authors: H. C. Devarajegowda, B. S. Palakshamurthy, H. Anil Kumar, H. T. Srinivasa, M. Harish Kumar

Institutions: University of Mysore, Tumkur University, Government of Karnataka, Raman Research Institute

Language: English

Topic: Crystal structures of chemical compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $500

OpenAlex ID: W4413348342