Pereira Carla F, Fernandes José A, Rodrigues João M M, Vilela Sérgio M F, Tomé João P C, Paz Filipe A Almeida
Department of Chemistry, University of Aveiro, QOPNA, 3810-193 Aveiro, Portugal.
Acta Crystallogr C. 2012 Mar;68(Pt 3):o104-7. doi: 10.1107/S0108270112002934. Epub 2012 Feb 4.
The title compound, C(48)H(20)F(19)N(4)O(3)P, prepared by the nucleophilic attack of triethyl phosphite on one of the 4-fluoro atoms of 5,10,15,20-tetrakis(pentafluorophenyl)porphyrin, contains a single molecule in the asymmetric unit. The porphyrin unit is almost planar [largest non-H atom deviation = 0.174 (6) Å], and has the planes of the neighbouring benzene rings oriented at angles ranging from 64.3 (2) to 89.6 (3)° relative to the porphyrin core. The P=O group is almost coplanar with the attached benzene ring, subtending an angle of 4.0 (3)°. Several weak supramolecular interactions, namely C-H...π, C-F...π, P=O...π, C-H...(O,F) and F...F contacts, contribute to the crystal packing.
