Devarajegowda H C, Palakshamurthy B S, Anil Kumar H, Srinivasa H T, Harish Kumar M
Department of Physics Yuvaraja's College University of Mysore,Mysore 570005 Karnataka India.
Department of PG Studies and Research in Physics Albert Einstein Block UCS Tumkur University, Tumkur Karnataka-572103 India.
Acta Crystallogr E Crystallogr Commun. 2025 Aug 15;81(Pt 9):836-839. doi: 10.1107/S2056989025007078. eCollection 2025 Sep 1.
In the title compound, CHBrClO, 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 . In the crystal, inter-molecular C-H⋯O hydrogen bonding links the mol-ecules into cyclic hydrogen-bonded inversion dimers with (10) motifs. The mol-ecular structure is associated with an inversion centre and connected through two symmetrical C-H⋯O inter-actions, forming (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.
在标题化合物CHBrClO中，4-溴-2-氯苯基环与（烷氧基）苯基部分的芳环之间的二面角为77.21 (2)°。与酯部分相关的扭转角为173.2 (2)°。在晶体中，分子间的C—H⋯O氢键将分子连接成具有（10）模式的环状氢键反转二聚体。分子结构具有一个反演中心，并通过两个对称的C—H⋯O相互作用相连，形成（10）反转二聚体模式。堆积通过C—H⋯π和C—Cl⋯π相互作用进一步巩固。 Hirshfeld表面分析表明，最主要的贡献来自H⋯H（54.0%）、C⋯H/H⋯C（15.2%）、Br⋯H/H⋯Br（10.9%）、O⋯H/H⋯O（7.8%）和Cl⋯H/H⋯Cl（2.6%）接触。
