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A 1:1 flavone cocrystal with cyclic trimeric perfluoro- o -phenyl-enemercury.

Egor M NovikovRaúl CastañedaMarina S FonariTatiana V Timofeeva
Published in: Acta crystallographica. Section E, Crystallographic communications (2024)
The title compound, systematic name tris-(μ 2 -perfluoro- o -phenyl-ene)(μ 2 -3-phenyl-4 H -chromen-4-one)- triangulo -trimercury, [Hg 3 (C 6 F 4 ) 3 (C 15 H 10 O 2 )], crystallizes in the monoclinic P 2 1 / n space group with one flavone (FLA) and one cyclic trimeric perfluoro- o -phenyl-enemercury (TPPM) mol-ecule per asymmetric unit. The FLA mol-ecule is located on one face of the TPPM acceptor and is linked in an asymmetric coordination of its carbonyl oxygen atom with two Hg centers of the TPPM macrocycle. The angular-shaped complexes pack in zigzag chains where they stack via two alternating TPPM-TPPM and FLA-FLA stacking patterns. The distance between the mean planes of the neighboring TPPM macrocycles in the stack is 3.445 (2) Å, and that between the benzo-γ-pyrone moieties of FLA is 3.328 (2) Å. The neighboring stacks are inter-digitated through the shortened F⋯F, CH⋯F and CH⋯π contacts, forming a dense crystal structure.
Keyphrases
  • crystal structure
  • room temperature
  • molecular dynamics
  • solid state
  • living cells
  • single molecule