Palakshamurthy B S, Anil Kumar H, Devarajegowda H C, Srinivasa H T, Harish Kumar M
Department of PG Studies and Research in Physics Albert Einstein Block UCS Tumkur University, Tumkur Karnataka-572103 India.
Department of Physics, Government First Grade College, Chikkballapur, Karnataka-562101, India.
Acta Crystallogr E Crystallogr Commun. 2025 Apr 4;81(Pt 5):364-367. doi: 10.1107/S2056989025002658. eCollection 2025 May 1.
In the title compound, CHBrClO, the dihedral angles between the aromatic ring of the 4-bromo-2-chloro-phenyl and the immediate neighbour and second aromatic ring of the biphenyl moiety are 80.59 (2) and 75.42 (2)°, respectively. The dihedral angle between the rings within the biphenyl moiety is 24.57 (4)°. The torsion angle associated with the ester group linking the biphenyl ring and the 4-bromo-2-chloro-phenyl group is -166.6 (2)°. The extended structure features short halogen⋯oxygen contacts [Cl⋯O = 2.991 (3), Br⋯O = 3.139 (2) Å], forming mol-ecular sheets lying parallel to (101). The Hirshfeld surface analysis reveals that the major contributions to the inter-molecular inter-actions are from C⋯H/H⋯C (32.2%), H⋯H/H⋯H (26.3%), Br⋯H/H⋯Br (10.7%), O⋯H/H⋯O (10.4%) and Cl⋯H/H⋯Cl (7.5%) contacts.
在标题化合物CHBrClO中，4-溴-2-氯苯基的芳环与联苯部分的紧邻芳环和第二个芳环之间的二面角分别为80.59 (2)°和75.42 (2)°。联苯部分内的环之间的二面角为24.57 (4)°。与连接联苯环和4-溴-2-氯苯基的酯基相关的扭转角为-166.6 (2)°。扩展结构具有短的卤原子⋯氧接触[Cl⋯O = 2.991 (3)，Br⋯O = 3.139 (2) Å]，形成平行于(101)的分子片层。 Hirshfeld表面分析表明，分子间相互作用的主要贡献来自C⋯H/H⋯C (32.2%)、H⋯H/H⋯H (26.3%)、Br⋯H/H⋯Br (10.7%)、O⋯H/H⋯O (10.4%)和Cl⋯H/H⋯Cl (7.5%)接触。
