Chemical Reviews· 2013Q1· Review
Conformational Polymorphism
- 761citations
- Q1SCImago
- 2013year
Short summary
Conformational polymorphism, where different crystal forms (polymorphs) of a molecule have distinct conformations related by a gas-phase conformational change, is defined and its likelihood quantified.
AI-generated from the title and abstract; the full text is not read.
Key points
- Conformational polymorphism is defined as polymorphs whose conformations differ via a gas-phase conformational change.
- Conformational change requires crossing an energy barrier, distinguishing it from conformational adjustment.
- Higher-energy conformations in crystals are rare but possible, especially when intramolecular bonds are broken for stronger intermolecular interactions.
- Molecules with R-bonds prone to change and adjustment are likely to display extensive polymorphism.
AI-generated from the title and abstract; the full text is not read.
Abstract
An unambiguous definition of conformational change and conformational polymorphism, as well as a quantitative basis for the likelihood of its appearance, is reviewed. Conformational adjustment and conformational change are different phenomena. Two polymorphs are conformational polymorphs only if their conformations are related by conformational change. Conformational change requires a change of gas-phase conformer and, hence, crossing of an energy barrier. Energy differences associated with conformational variations of small organic molecules in different polymorphs are usually small. Higher-energy conformations in crystals are rare but possible for molecules that are able to break an intramolecular interaction in favor of a strong intermolecular interaction and molecules that crystallize in special symmetry positions. Polymorphic molecules containing R-bonds that are prone to both change and adjust are likely to display a rich polymorphic landscape.
The authors' abstract, as published at the source. Chemical Reviews, 2013 · DOI ↗
Continue with a free account
Ask the paper: 3 free questions a day about this paper; save it, get its citation, new summaries every day for your field. Takeaways are Premium.
Continue free on the webSign in with Google or Apple; no card needed. You come back to this paper.
On your phone:
Field: Physical and Theoretical Chemistry
Physical and Theoretical ChemistryChemistry