{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["81(Pt 9)"],"submitter":["Devarajegowda HC"],"pubmed_abstract":["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 significan"],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["836-839"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12412707"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure and Hirshfeld surface analysis of 4-bromo-2-chloro-phenyl (&lt;i&gt;E&lt;/i&gt;)-3-[4-(undec-yloxy)phen-yl]acrylate."],"pmcid":["PMC12412707"],"pubmed_authors":["Harish Kumar M","Devarajegowda HC","Palakshamurthy BS","Anil Kumar H","Srinivasa HT"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure and Hirshfeld surface analysis of 4-bromo-2-chloro-phenyl (&lt;i&gt;E&lt;/i&gt;)-3-[4-(undec-yloxy)phen-yl]acrylate.","description":"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 significan","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Sep","modification":"2026-04-14T03:24:55.358Z","creation":"2026-04-14T03:13:47.626Z"},"accession":"S-EPMC12412707","cross_references":{"pubmed":["40918566"],"doi":["10.1107/S2056989025007078"]}}