Crystal structure and Hirshfeld surface studies of 4-bromo-2-chloro-phenyl (2<i>E</i>)-3-[4-(pent-yloxy)phen-yl]prop-2-enoate.

ABSTRACT: The asymmetric unit of the compound C₂₀H₂₀BrClO₃ contains one independent mol-ecule in which the aromatic rings are oriented at a dihedral angle of 83.30 (2)°. An intra-molecular C-H⋯O contact generates a five-membered S(5) ring motif. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules through R ¹ ₂(6), R ² ₂(10), R ² ₂(14) hydrogen-bond motifs. The structure is consolidated by C-H⋯π inter-actions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (32.8%), C⋯H/H⋯C (28.1%), O⋯H/H⋯O (14.0%) Br⋯H/H⋯Br (12.5%) and Cl⋯H/H⋯Cl (10.6%) inter-actions.

SUBMITTER: Harish Kumar M 

PROVIDER: S-EPMC12498039 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature