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Synthesis and structure of 4-[(2,3,4,5,6-pentafluoro-phen-oxy)carbon-yl]phenyl 4-(dodec-yloxy)benzoate
Khaleel Ahmed1, B Bommalingaiah2, G N Venkatareddy2
1Department of Physics Yuvaraja's College University of Mysore,Mysore Karnataka-570005 India.
Abstract:
In the title compound, C32H33F5O5, the dihedral angle between the central carbonyl-pheyl and peripheral perfluoro-phen-oxy and (dodec-yloxy)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 C12 alkyl chain adopts an all-anti conformation. In the crystal, weak C-H⋯O hydrogen bonds connect the mol-ecules, forming S(7) chains propagating along the [010] direction. The packing is consolidated by C-F⋯π inter-actions 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.
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