Crystal structure and Hirshfeld surface analysis of an etoxazole metabolite designated R4.

ABSTRACT: A metabolite of the insecticide/acaricide etoxazole, designated R4 {systematic name N-[1-(4-tert-butyl-2-eth-oxy-phen-yl)-2-hy-droxy-eth-yl]-2,6-di-fluoro-benz-amide, C₂₁H₂₅F₂NO₃}, is presented. The mol-ecular structure has a central N-(2-hy-droxy-ethyl)formamide group flanked by 4-tert-butyl-2-eth-oxy-phenyl and 2,6-di-fluoro-phenyl-substituted rings. The overall conformation is defined by its torsional degrees of freedom [N-C-C-C = 56.09 (18) and 99.41 (18)°], which place the 4-tert-butyl-2-eth-oxy-phenyl and 2,6-di-fluoro-phenyl rings at a dihedral angle of 70.66 (5)°. In the crystal, mol-ecules are linked by a strong O-H-O hydrogen bond into chains that extend parallel to the a-axis. There are

SUBMITTER: Sowbhagya C 

PROVIDER: S-EPMC12498050 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature