JavaScript is disabled for your browser. Some features of this site may not work without it.
The submission of new items to CORA is currently unavailable due to a repository upgrade. For further information, please contact cora@ucc.ie. Thank you for your understanding.
Full text restriction information:Access to this article is restricted until 12 months after publication by request of the publisher.
Restriction lift date:2019-04-24
Citation:Khandavilli, U. B. R., Gavin, D., Maguire, A. R., Nolan, M. and Lawrence, S. E. (2018) 'Exploring the crystal landscape of 3-methyl-2-phenylbutyramide: crystallization of metastable racemic forms from the stable conglomerate', Crystal Growth & Design, doi: 10.1021/acs.cgd.8b00348
In the solid state (±)-3-methyl-2-phenylbutyramide 1 spontaneously resolves into a conglomerate (Form I) that crystallizes in a racemic form (Form II) upon evaporation from the melt, a rarely reported phenomenon. An additional racemic polymorph, Form III, has been characterized, and the thermodynamic relationship between the three forms established by a variety of computational and experimental methods including grinding, slurry crystallization and seeding techniques. Both racemic Forms II and III are metastable and readily convert to the more stable conglomerate, Form I. Density Functional Theory calculations of the different polymorphs of 1 show that the enantiomers of 1 (R & S) are more stable than both racemic forms.
This website uses cookies. By using this website, you consent to the use of cookies in accordance with the UCC Privacy and Cookies Statement. For more information about cookies and how you can disable them, visit our Privacy and Cookies statement