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Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol

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dc.contributor.author Svärd, Michael
dc.contributor.author Gamidi, Rama Krishna
dc.contributor.author Rasmuson, Åke C.
dc.date.accessioned 2018-08-22T14:08:27Z
dc.date.available 2018-08-22T14:08:27Z
dc.date.issued 2018
dc.identifier.uri http://hdl.handle.net/10344/7092
dc.description peer-reviewed en_US
dc.description.abstract A new compound, 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol, has been discovered, described, and its crystal polymorphism investigated. The crystal structures of two polymorphs have been solved with single-crystal X-ray diffraction. The molecule is chiral with four stereo centers, and both polymorphs crystallise in the non-centrosymmetric orthorhombic, chiral P212121 space group, with one molecule in the asymmetric unit. In both structures the molecules are arranged three dimensionally in an interlocked manner, stabilized by strong O–H⋯O and weaker C–H⋯O and π⋯π interactions. The polymorphs have been characterized by X-ray powder diffraction (XRPD) and infrared spectroscopy (IR). The thermodynamic stability relationship between the polymorphs from 280 K up to the melting points has been quantitatively determined by differential scanning calorimetry (DSC), through measurement of melting points, heats of fusion, and heat capacities of the solid phases and the supercooled melt. It is established that the relationship is most likely monotropic, with one polymorph (FI) stable throughout the entire evaluated temperature range. The stability relationship at room temperature has been confirmed by a slurry conversion experiment. en_US
dc.language.iso eng en_US
dc.publisher Royal Society of Chemistry en_US
dc.relation.ispartofseries CrystEngComm;20, pp. 88-95
dc.relation.uri http://dx.doi.org/10.1039/c7ce01135k
dc.subject crystallisation en_US
dc.subject crystal structures en_US
dc.title Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol en_US
dc.type info:eu-repo/semantics/article en_US
dc.type.supercollection all_ul_research en_US
dc.type.supercollection ul_published_reviewed en_US
dc.identifier.doi 10.1039/c7ce01135k
dc.contributor.sponsor SFI en_US
dc.contributor.sponsor Swedish Research Council en_US
dc.relation.projectid 2015-5240 en_US
dc.relation.projectid 12/RC/2275 en_US
dc.rights.accessrights info:eu-repo/semantics/openAccess en_US


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