The interplay between hydrogen bonds and stacking/T-type interactions in molecular cocrystals
Aurora J Cruz-Cabeza, Peter R Spackman, Amy V Hall · 2024
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Description
Cruz-Cabeza, Spackman, and Hall study forces that hold cocrystals together, in work from twenty twenty-four. Cocrystals join two molecules in one crystal lattice. Design rules have long assumed hydrogen bonds dominate that joining.
The team analyzed one to one cocrystals in a major structural database. Most common partner molecules were aromatic rings. Among close molecular pairs, only a fifth held solely strong hydrogen bonds. More than half held stacking or T type contacts between rings. When strength and frequency were combined, both force types contributed equally. Future crystal design must plan for ring contacts, not just hydrogen bonds.
Catalog record
| CREATOR | Aurora J Cruz-Cabeza, Peter R Spackman, Amy V Hall |
|---|---|
| YEAR | 2024 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 33 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |