Understanding the p-toluenesulfonamide/triphenylphosphine oxide crystal chemistry: a new 1:1 cocrystal and ternary phase diagram

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dc.contributor.author Croker, Denise M.
dc.contributor.author Foreman, Michael E.
dc.contributor.author Hogan, Bridget N.
dc.contributor.author Maguire, Nuala M.
dc.contributor.author Elcoate, Curtis J.
dc.contributor.author Hodnett, Benjamin K.
dc.contributor.author Maguire, Anita R.
dc.contributor.author Rasmuson, Ake C.
dc.contributor.author Lawrence, Simon E.
dc.date.accessioned 2013-01-30T13:24:45Z
dc.date.available 2013-01-30T13:24:45Z
dc.date.copyright 2011
dc.date.issued 2012
dc.identifier.citation Croker, Denise M., Foreman, Michael E., Hogan, Bridget N., Maguire, Nuala M., Elcoate, Curtis J., Hodnett, Benjamin K., Maguire, Anita R., Rasmuson, Ake C., Lawrence, Simon E. (2012) 'Understanding the p-Toluenesulfonamide/Triphenylphosphine Oxide Crystal Chemistry: A New 1:1 Cocrystal and Ternary Phase Diagram'. Crystal Growth & Design, 12 (2):869-875. http://pubs.acs.org/doi/abs/10.1021/cg201300e en
dc.identifier.volume 12 en
dc.identifier.issued 2 en
dc.identifier.startpage 869 en
dc.identifier.endpage 875 en
dc.identifier.uri http://hdl.handle.net/10468/949
dc.identifier.doi 10.1021/cg201300e
dc.description.abstract A novel 1:1 cocrystal between p-toluenesulfonamide and triphenylphosphine oxide has been prepared and structurally characterized. This 1:1 cocrystal was observed to form during solid state grinding experiments, with subsequent formation of a known 3:2 cocrystal in the presence of excess sulfonamide. Both cocrystals are stable in the solid state. The ternary phase diagram for the two coformers was constructed in two different solvents: acetonitrile and dichloromethane. Examination of these diagrams clarified solution crystallization of both the newly discovered 1:1 cocrystal and the previously reported 3:2 cocrystal, and identified regions of stability for each cocrystal in each solvent. The choice of solvent was found to have a significant effect on the position of the solid state regions within a cocrystal system. en
dc.description.sponsorship Science Foundation Ireland (07/SRC/B1158); Science Foundation Ireland (05/PICA/B802/EC07) en
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Chemical Society en
dc.relation.uri http://pubs.acs.org/doi/abs/10.1021/cg201300e
dc.rights © 2011, American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Growth & Design, copyright © American Chemical Society after peer review and technical editing by the publisher.To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/cg201300e en
dc.subject Crystallography en
dc.subject Liquid crystals en
dc.subject Cocrystals en
dc.subject.lcsh Crystallization en
dc.title Understanding the p-toluenesulfonamide/triphenylphosphine oxide crystal chemistry: a new 1:1 cocrystal and ternary phase diagram en
dc.type Article (peer-reviewed) en
dc.internal.authorurl http://research.ucc.ie/profiles/D004/slawrence en
dc.internal.authorcontactother Simon Lawrence, Chemistry, University College Cork, Cork, Ireland. +353-21-490-3000 Email: s.lawrence@ucc.ie en
dc.internal.availability Full text available en
dc.date.updated 2012-12-20T14:20:17Z
dc.description.version Accepted Version en
dc.internal.rssid 166493049
dc.contributor.funder Science Foundation Ireland en
dc.description.status Peer reviewed en
dc.identifier.journaltitle Crystal Growth & Design en
dc.internal.copyrightchecked Accepted Version - set statement - 12 month embargo if mandated by funding agency, employer. en
dc.internal.licenseacceptance Yes en


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