Loading...
Structural similarity in chiral-achiral multi-component crystals
Scowen, Ian J. Alomar, T.S. Munshi, Tasnim Seaton, Colin C.
Scowen, Ian J.
Alomar, T.S.
Munshi, Tasnim
Seaton, Colin C.
Publication Date
2020
End of Embargo
Supervisor
Rights
© The Royal Society of Chemistry 2020. Reproduced in accordance with the publisher's self-archiving policy.
Peer-Reviewed
Yes
Open Access status
openAccess
Accepted for publication
2020-04-15
Institution
Department
Awarded
Embargo end date
Collections
Additional title
Abstract
The creation of multi-component crystals between chiral and achiral components has gained increased interest in recent years. In many cases the overall crystal structure is similar with the creation of a pseudo-inversion centre in the enantiopure case. This allows for the formation of solid solutions between the two extremes, which may have applications within chiral resolution. Utilising a combination of database mining, computational prediction and experimental screening, the frequency of formation for such materials has been investigated showing that for co-crystals this occurs more frequently than for salts, though there is a limited number of samples to draw structural conclusions. Computational modelling indicates the prediction of such systems can be challenging due to the similarities in energy of many crystal structures, so development of tools to design such systems is required to fully utilise these concepts.
Version
Accepted manuscript
Citation
Scowen IJ, Alomar TS, Munshi T et al (2020) Structural similarity in chiral-achiral multi-component crystals. CrystEngComm. 22(43): 7334-7340.
Link to publisher’s version
Link to published version
Link to Version of Record
Type
Article