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dc.contributor.authorDing, Xin
dc.contributor.authorTuikka, Matti
dc.contributor.authorHaukka, Matti
dc.date.accessioned2020-03-06T12:21:01Z
dc.date.available2020-03-06T12:21:01Z
dc.date.issued2020
dc.identifier.citationDing, X., Tuikka, M., & Haukka, M. (2020). A Novel Halogen Bond Acceptor : 1-(4-Pyridyl)-4-Thiopyridine (PTP) Zwitterion. <i>Crystals</i>, <i>10</i>(3), Article 165. <a href="https://doi.org/10.3390/cryst10030165" target="_blank">https://doi.org/10.3390/cryst10030165</a>
dc.identifier.otherCONVID_34922705
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/68092
dc.description.abstractSulfur is a widely used halogen bond (XB) acceptor, but only a limited number of neutral XB acceptors with bifurcated sp3-S sites have been reported. In this work a new bidentate XB acceptor, 1-(4-pyridyl)-4-thiopyridine (PTP), which combines sp3-S and sp2-N acceptor sites, is introduced. Three halogen bonded cocrystals were obtained by using 1,4-diiodobenzene (DIB), 1,4-diiodotetrafluorobenzene (DIFB), and iodopentafluorobenzene (IPFB) as XB donors and PTP as acceptor. The structures of the cocrystals showed some XB selectivity between the S and N donors in PTP. However, the limited contribution of XB to the overall molecular packing in these three cocrystals and the results from DSC measurements clearly point out the synergetic influence and interplay of all noncovalent interactions in crystal packing of these compounds.en
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherMDPI
dc.relation.ispartofseriesCrystals
dc.rightsCC BY 4.0
dc.subject.otherHalogen bonds (XB)
dc.subject.otheracceptor
dc.subject.othercocrystals
dc.subject.otherselectivity
dc.titleA Novel Halogen Bond Acceptor : 1-(4-Pyridyl)-4-Thiopyridine (PTP) Zwitterion
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202003062329
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineEpäorgaaninen ja analyyttinen kemiafi
dc.contributor.oppiaineInorganic and Analytical Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.description.reviewstatuspeerReviewed
dc.relation.issn2073-4352
dc.relation.numberinseries3
dc.relation.volume10
dc.type.versionpublishedVersion
dc.rights.copyright© 2020 by the authors. Licensee MDPI, Basel, Switzerland
dc.rights.accesslevelopenAccessfi
dc.subject.ysokiteet
dc.subject.ysoorgaaniset yhdisteet
dc.subject.ysorikkiyhdisteet
dc.subject.ysokemialliset sidokset
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p15440
jyx.subject.urihttp://www.yso.fi/onto/yso/p3841
jyx.subject.urihttp://www.yso.fi/onto/yso/p5731
jyx.subject.urihttp://www.yso.fi/onto/yso/p10130
dc.rights.urlhttps://creativecommons.org/licenses/by/4.0/
dc.relation.doi10.3390/cryst10030165
jyx.fundinginformationThis research was funded by Academy of Finland, grant number 130571 and 295881


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