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dc.contributor.authorSuhonen, Aku
dc.contributor.authorMorgan, Ian
dc.contributor.authorNauha, Elisa
dc.contributor.authorHelttunen, Kaisa
dc.contributor.authorTuononen, Heikki
dc.contributor.authorNissinen, Maija
dc.date.accessioned2015-06-10T08:12:06Z
dc.date.available2016-05-11T21:45:05Z
dc.date.issued2015
dc.identifier.citationSuhonen, A., Morgan, I., Nauha, E., Helttunen, K., Tuononen, H., & Nissinen, M. (2015). Effect of a Rigid Sulfonamide Bond on Molecular Folding: A Case Study. <i>Crystal Growth and Design</i>, <i>15</i>(6), 2602-2608. <a href="https://doi.org/10.1021/acs.cgd.5b00424" target="_blank">https://doi.org/10.1021/acs.cgd.5b00424</a>
dc.identifier.otherCONVID_24740127
dc.identifier.otherTUTKAID_66320
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/46265
dc.description.abstractA disulfonamide compound with bulky aromatic side chains was prepared, and its properties as a potential building block for foldamers were evaluated. Two different solvate crystal forms of the compound were identified and compared to the structures of an analogous oligoamide and related disulfonamides. The disulfonamide is unfolded in one of the solvates, whereas in the other one, a loosely folded conformer stabilized by an intramolecular hydrogen bond is found. Density functional calculations indicated that the loosely folded conformer is slightly more stable than its unfolded isomer. The calculations also identified a third, more tightly folded and more extensively hydrogen bonded, conformer that is even lower in energy.
dc.language.isoeng
dc.publisherAmerican Chemical Society
dc.relation.ispartofseriesCrystal Growth and Design
dc.subject.othersulfonamidisidos
dc.subject.othermolekyylien laskostuminen
dc.subject.otherkonformeerit
dc.subject.otherorgaaninen synteesi
dc.subject.othersulfonamide bond
dc.subject.othermolecular folding
dc.subject.othermolecular conformers
dc.subject.otherorganic synthesis
dc.titleEffect of a Rigid Sulfonamide Bond on Molecular Folding: A Case Study
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201506082224
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineEpäorgaaninen ja analyyttinen kemiafi
dc.contributor.oppiaineOrgaaninen kemiafi
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiaineInorganic and Analytical Chemistryen
dc.contributor.oppiaineOrganic Chemistryen
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2015-06-08T09:15:02Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.format.pagerange2602-2608
dc.relation.issn1528-7483
dc.relation.numberinseries6
dc.relation.volume15
dc.type.versionacceptedVersion
dc.rights.copyright© 2015 American Chemical Society. This is a final draft version of an article whose final and definitive form has been published by ACS. Published in this repository with the kind permission of the publisher.
dc.rights.accesslevelopenAccessfi
dc.subject.ysoröntgenkristallografia
jyx.subject.urihttp://www.yso.fi/onto/yso/p29058
dc.relation.doi10.1021/acs.cgd.5b00424


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