Halogen Bonding as a Supramolecular Modulator of Crystal Packing and Exchange Interactions in Nitronyl Nitroxides
Pavel V. Petunin,
Evgeny V. Tretyakov,
Matvey K. Shurikov
et al.
Abstract:Through the interaction of a halogen bond donor (1,4-diiodotetrafluorobenzene; 1,4-FIB) with isomers of pyridylsubstituted nitronyl nitroxides (Py-NN), five novel cocrystals were constructed via halogen bonding. The cocrystals (pPy-NN) n •1,4-FIB (n = 1, 2, 4) and (mPy-NN) n •1,4-FIB (n = 1, 2) are represented by the discrete clusters Py-NN•1,4-FIB•NN-Py, cyclic tetrameric structures (pPy-NN) 4 •(1,4-FIB) 4 , or one-dimensional (1D) zigzag chains. Density functional theory calculations were used to analyze the… Show more
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