Synthesis and structure of 4-[(2,3,4,5,6-pentafluorophenoxy)carbonyl]phenyl 4-(dodecyloxy)benzoate
Year: 2026
Type: article
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.
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
OpenAlex ID: W7154713732