Synthesis, Structure and Supramolecular Properties of a Novel C3 Cryptand with Pyridine Units in the Bridges.
Cosmin Vasile CrişanAlbert SoranAttila BendeNiculina Daniela HӑdadeAnamaria TerecIon GrosuPublished in: Molecules (Basel, Switzerland) (2020)
The high-yield synthesis and the structural investigation of a new cryptand with C3 symmetry, exhibiting 2,4,6-triphenyl-1,3,5-triazine central units and pyridine-based bridges, are reported. The structure of the compound was investigated by single crystal X-ray diffractometry, NMR (nuclear magnetic resonance), HRMS (high resolution mass spectrometry) measurements, and theoretical calculations. The study of supramolecular behavior in solid state revealed the association of cryptand molecules by C-H---π and π---π contacts. Moreover, theoretical calculations indicated the high binding affinity of the cryptand for various organic molecules as guests.
Keyphrases
- solid state
- high resolution mass spectrometry
- magnetic resonance
- liquid chromatography
- density functional theory
- molecular dynamics
- molecular dynamics simulations
- water soluble
- ultra high performance liquid chromatography
- gas chromatography
- high resolution
- mass spectrometry
- monte carlo
- energy transfer
- single cell
- contrast enhanced
- binding protein
- computed tomography
- electron microscopy