Competing hydrogen-bond donors: phenols vs. cyanooximes

Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John

dc.citation.doi	10.1039/c3ce41023d	en_US
dc.citation.epage	5949	en_US
dc.citation.issue	30	en_US
dc.citation.jtitle	CrystEngComm	en_US
dc.citation.spage	5946	en_US
dc.citation.volume	15	en_US
dc.contributor.author	Aakeröy, Christer B.
dc.contributor.author	Epa, Kanishka N.
dc.contributor.author	Forbes, Safiyyah
dc.contributor.author	Desper, John
dc.contributor.authoreid	aakeroy	en_US
dc.contributor.authoreid	desperj	en_US
dc.date.accessioned	2013-09-10T19:46:34Z
dc.date.available	2013-09-10T19:46:34Z
dc.date.issued	2013-06-24
dc.date.published	2013	en_US
dc.description.abstract	Based on a systematic structural study of co-crystals of a ditopic probe molecule, (Z)-N,4-dihydroxybenzimidoyl cyanide, decorated with an –OH group and a cyanooxime moiety, it has been shown that in a competitive molecular recognition event, the former is the better hydrogen-bond donor. This structural behaviour is reflected by calculated electrostatic potential surfaces of the competing donors, which highlights that electrostatic charge can offer a reliable tool for predicting primary hydrogen-bond preferences.	en_US
dc.identifier.uri	http://hdl.handle.net/2097/16417
dc.language.iso	en_US	en_US
dc.relation.uri	http://doi.org/10.1039/c3ce41023d	en_US
dc.rights	This Item is protected by copyright and/or related rights. You are free to use this Item in any way that is permitted by the copyright and related rights legislation that applies to your use. For other uses you need to obtain permission from the rights-holder(s).	en_US
dc.rights.uri	https://rightsstatements.org/page/InC/1.0/?language=en
dc.subject	Hydrogen-bond donors	en_US
dc.subject	Phenols	en_US
dc.subject	Cyanooximes	en_US
dc.title	Competing hydrogen-bond donors: phenols vs. cyanooximes	en_US
dc.type	Article (author version)	en_US

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