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

Research output: Contribution to journalArticle

  • External authors:
  • Ghazala Sadiq
  • Colin C. Seaton
  • Robin G. Pritchard
  • Gerard Coquerel
  • Celine Rougeot

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. This journal is © the Partner Organisations 2014.

Bibliographical metadata

Original languageEnglish
Pages (from-to)4377-4381
Number of pages4
JournalCrystEngComm
Volume16
Issue number21
DOIs
Publication statusPublished - 7 Jun 2014

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