Structural Examination of Halogen-Bonded Co-Crystals of Tritopic Acceptors
AbstractA series of tritopic N-heterocyclic compounds containing electrostatically and geometrically equivalent binding sites were synthesized and subjected to systematic co-crystallizations with selected perfluoroiodoarenes in order to map out their structural landscapes. More than 70% of the attempted reactions produced a co-crystal as indicated by IR spectroscopy. Four new crystal structures are reported and in all of them, at least one potential binding site on the acceptor is left vacant. The absence of halogen bonds to all sites can be ascribed primarily due to deactivation of the σ-hole on the iodo-arene donors and partially due to steric hindrance. The tritopic acceptors containing 5,6-dimethylbenzimidazole derivatives yield discrete tetrameric aggregates in the solid state, whereas the pyrazole and imidazole analogues assemble into halogen-bonded 1-D chains. View Full-Text
- Supplementary File 1:
PDF-Document (PDF, 651 KB)
Share & Cite This Article
Andree, S.N.L.; Sinha, A.S.; Aakeröy, C.B. Structural Examination of Halogen-Bonded Co-Crystals of Tritopic Acceptors. Molecules 2018, 23, 163.
Andree SNL, Sinha AS, Aakeröy CB. Structural Examination of Halogen-Bonded Co-Crystals of Tritopic Acceptors. Molecules. 2018; 23(1):163.Chicago/Turabian Style
Andree, Stefan N.L.; Sinha, Abhijeet S.; Aakeröy, Christer B. 2018. "Structural Examination of Halogen-Bonded Co-Crystals of Tritopic Acceptors." Molecules 23, no. 1: 163.
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.