Competing hydrogen-bond donors: phenols vs. cyanooximes
| 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 |
