◆ Acta crystallographica. Section E, Crystallographic communications2026-08-01
Synthesis and structure of 4-(benz-yloxy)phenyl 3,5-di-methyl-benzoate.
P Roopadevi, G N Venkata Reddy, B Bommalingaiah, H C Devarajegowda, B S Palakshamurthy
原始摘要(英文原文)· Original abstract
In the title compound, C22H20O3, the dihedral angles between the central and peripheral aromatic rings are 83.47 (2) and 66.00 (2)° and the packing is consolidated by C-H⋯π inter-actions. Hirshfeld surface analysis indicates that the major contributions to the two-dimensional fingerprint plots arise from H⋯H (51.1%), C⋯H/H⋯C (32.7%), and H⋯O/O⋯H (14.3%) contacts. Energy framework calculations indicate that dispersion energy makes the largest contribution (-240 kJ mol-1) to the packing compared to the other energy components.