dc.contributor.author	Khandavilli, Udaya Bhaskara Rao
dc.contributor.author	Lusi, Matteo
dc.contributor.author	Bhogala, Balakrishna R.
dc.contributor.author	Maguire, Anita R.
dc.contributor.author	Stein, Matthias
dc.contributor.author	Lawrence, Simon E.
dc.contributor.funder	Science Foundation Ireland	en
dc.contributor.funder	Max-Planck-Gesellschaft, Germany
dc.contributor.funder	European Commission
dc.date.accessioned	2016-07-12T10:44:33Z
dc.date.available	2016-07-12T10:44:33Z
dc.date.issued	2016-07
dc.date.updated	2016-07-11T10:27:15Z
dc.description.abstract	The crystal structure containing (+/-)-3-methyl-2-phenylbutyramide with salicylic acid is the first example of a kryptoracemate co-crystal. It exhibits the first temperature mediated reversible single-crystal to single-crystal transition between two kryptoracemate forms, in addition to crystallising in another, racemic, form. Theoretical calculations and structural analysis reveal that there are only small differences in both energy and packing arrangements between the three forms. These results suggest that co-crystals can be an opportunity to investigate kryptoracemate behaviour.	en
dc.description.sponsorship	Science Foundation Ireland (Grant Number 12/RC/2275); European Commission (COST Action CM1402, Crystallize)	en
dc.description.status	Peer reviewed	en
dc.description.version	Accepted Version	en
dc.format.mimetype	application/pdf	en
dc.identifier.citation	Khandavilli U. B. R., Lusi M., Bhogala B. R., Maguire A. R., Stein M. and Lawrence S. E. (2016) 'Diversity in a simple co-crystal: racemic and kryptoracemic behaviour', Chemical Communications, 52(53), pp. 8309-8312. doi:10.1039/c6cc04148e	en
dc.identifier.doi	10.1039/c6cc04148e
dc.identifier.endpage	8312	en
dc.identifier.issn	1364-548X
dc.identifier.issued	53	en
dc.identifier.journaltitle	Chemical Communications	en
dc.identifier.startpage	8309	en
dc.identifier.uri	https://hdl.handle.net/10468/2857
dc.identifier.volume	52	en
dc.language.iso	en	en
dc.publisher	Royal Society of Chemistry	en
dc.rights	© 2016, the Authors. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.	en
dc.rights.uri	http://creativecommons.org/licenses/by/3.0/
dc.subject	Kryptoracemate co-crystal	en
dc.subject	Single-crystal transition	en
dc.subject	Racemic form	en
dc.title	Diversity in a simple co-crystal: racemic and kryptoracemic behaviour.	en
dc.type	Article (peer-reviewed)	en

Diversity in a simple co-crystal: racemic and kryptoracemic behaviour.

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