Synthesis and structure of 4-[(2,3,4,5,6-pentafluorophenoxy)carbonyl]phenyl 4-(tetradecyloxy)benzoate
Abstract
In the title molecule, C 34 H 37 F 5 O 5 , the dihedral angles between the central carbonylphenyl and adjacent perfluorophenoxy and (tetradecyloxy)benzoate rings are 74.19 (2) and 67.86 (2)°, respectively and the tetradecyl chain adopts an extended conformation. In the crystal, the molecules are linked by C—H...O and C—H...F hydrogen bonds, forming C (7) and C (10) chains, respectively, both running infinitely along [010]. The Hirshfeld surface analysis reveals that the major contributions to the two dimensional fingerprint plots are from H...H (49.4%), F...H/H...F (16.7%) and O...H/H...O (9.0%) contacts. An intermolecular interaction energy calculation shows that dispersion energy contributes the most to the consolidation of the structure.
Fields of Study & Subjects
Crystal structures of chemical compounds
Crystallography and molecular interactions
Luminescence and Fluorescent Materials
Publication details
- Journal / source
- Acta Crystallographica Section E Crystallographic Communications
- Publisher
- International Union of Crystallography (IUCr)
- Volume
- 82
- Issue
- 7
- Pages
- 858–861
- Publication date
- 16 June 2026
- Language
- EN