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

Description

No / 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. / EU-project ‘IntEnant’, Integrated Synthesis and Purification of Enantiomers

Links & Downloads

1. 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.
2. http://hdl.handle.net/10454/10194
3. https://doi.org/10.1039/C4CE00615A

Tags

Crystallisation

Chiral resolution

Conglomerates

Additional Fields

Identifer	oai:union.ndltd.org:BRADFORD/oai:bradscholars.brad.ac.uk:10454/10194
Date	11 April 2014
Creators	Davey, R.J., Sadiq, G., Seaton, Colin C., Pritchard, R.G., Coquerel, G., Rougeot, C.
Source Sets	Bradford Scholars
Language	English
Detected Language	English
Type	Article, No full-text in the repository