Racemic compound versus conglomerate: concerning the crystal chemistry of the triazoylketone, 1-(4-chlorophenyl)-4,4- dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one
Davey, R.J. Sadiq, G. Seaton, Colin C. Pritchard, R.G. Coquerel, G. Rougeot, C.
Davey, R.J.
Sadiq, G.
Seaton, Colin C.
Pritchard, R.G.
Coquerel, G.
Rougeot, C.
Publication Date
2014-06-07
End of Embargo
Supervisor
Rights
Peer-Reviewed
Yes
Open Access status
closedAccess
Accepted for publication
2014-04-11
Institution
Department
Awarded
Embargo end date
Collections
Additional title
Abstract
The triazoylketone discussed in this paper crystallises from racemic solutions as a conglomerate. Here, we report the ternary phase diagram confirming the conglomerate behaviour of this molecule. Through computation we also explore the underlying reasons for the absence of a racemic compound in this system and the evident epitaxial crystallisation leading to crystals of almost racemic compositions but which retain the crystal structure of the pure enantiomer.
Version
No full-text in the repository
Citation
Davey RJ, Sadiq G, Seaton CC et al (2014) Racemic compound versus conglomerate: concerning the crystal chemistry of the triazoylketone, 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one. CrystEngComm. 16(21): 4377-4381.
Link to publisher’s version
Link to published version
Link to Version of Record
Type
Article