Synthesis and structure of 4-[(2,3,4,5,6-pentafluorophenoxy)carbonyl]phenyl 4-(dodecyloxy)benzoate
Abstract
In the title compound, C 32 H 33 F 5 O 5 , the dihedral angle between the central carbonylpheyl and peripheral perfluorophenoxy and (dodecyloxy)benzoate rings are 85.24 (2) and 78.98 (2) ο , respectively, indicating that the central ring is almost normal to both adjacent rings. The pendant C 12 alkyl chain adopts an all- anti conformation. In the crystal, weak C—H...O hydrogen bonds connect the molecules, forming S (7) chains propagating along the [010] direction. The packing is consolidated by C—F...π interactions and weak π–π stacking. The Hirshfeld surface analysis reveals that the major contributions to the two-dimensional fingerprint plots are from H...H (45%),F...H/H...F (18.5%), O...H/H...O (9.7%), C...H/H...C (9.4%), F...C/C...F (7.3%), and F...F (1.9%) contacts. An energy framework calculation shows that dispersion energy (–383.4 kJ mol −1 ) makes by far the largest contribution.
Fields of Study & Subjects
Crystal structures of chemical compounds
Crystallography and molecular interactions
Molecular Sensors and Ion Detection
Publication details
- Journal / source
- Acta Crystallographica Section E Crystallographic Communications
- Publisher
- International Union of Crystallography (IUCr)
- Volume
- 82
- Issue
- 5
- Pages
- 490–493
- Publication date
- 17 April 2026
- Language
- EN