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Issue 21, 2014
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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

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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.

Graphical abstract: 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

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Article information


Submitted
27 Mar 2014
Accepted
11 Apr 2014
First published
11 Apr 2014

CrystEngComm, 2014,16, 4377-4381
Article type
Communication
Author version available

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

R. J. Davey, G. Sadiq, C. C. Seaton, R. G. Pritchard, G. Coquerel and C. Rougeot, CrystEngComm, 2014, 16, 4377
DOI: 10.1039/C4CE00615A

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