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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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Publication details

The article was received on 27 Mar 2014, accepted on 11 Apr 2014 and first published on 11 Apr 2014


Article type: Communication
DOI: 10.1039/C4CE00615A
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CrystEngComm, 2014,16, 4377-4381

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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

    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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