The isolation of a metastable conglomerate using a combined computational and controlled crystallization approach

Roger J Davey; Ghazala Sadiq; Kevin Back; Laura Wilkinson; Colin C Seaton

doi:10.1039/c1cc16173c

The isolation of a metastable conglomerate using a combined computational and controlled crystallization approach

Chem Commun (Camb). 2012 Feb 14;48(14):1976-8. doi: 10.1039/c1cc16173c. Epub 2011 Nov 25.

Authors

Roger J Davey¹, Ghazala Sadiq, Kevin Back, Laura Wilkinson, Colin C Seaton

Affiliation

¹ School of Chemical Engineering and Analytical Science, University of Manchester, Oxford Road, Manchester M13 9PL, UK. [email protected]

PMID: 22117223
DOI: 10.1039/c1cc16173c

Abstract

While the use of additives to control the crystallization of polymorphs is well known, similar methodology to promote the crystallization of a metastable conglomerate over a stable racemic compound in enantiomeric systems has not been reported. Here we demonstrate this phenomenon in the case of 2-chloromandelic acid.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Crystallization
Hydrogen Bonding
Mandelic Acids / chemistry*
Molecular Conformation
Stereoisomerism
X-Ray Diffraction

Substances

2-chloromandelic acid
Mandelic Acids