In this HOT article, conformational analysis of nine designed flexible 1,2-diarylethanes with different substituents show syn conformation due to π–π interactions by 1H NMR in solution, this carries over to the solid state for three compounds while two show anti conformation in the solid state by X-ray crystallography. These models may provide an important experimental basis for further development of computational/theoretical models for a better understanding of arene interactions in flexible compounds both at the molecular and supramolecular level.
Read more for FREE about conformational control until the 3rd January 2012:
Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes
Kamlakar Avasthi, Amar Kumar, Sangeeta Aswal, Ruchir Kant, Resmi Raghunandan, Prakas R. Maulik, Ranjana S. Khanna and Krishnan Ravikumar
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C1CE06001E
