Crystal polymorphism of methyl 2,3,4-tri-O-acetyl-1-O-(trichloroacetimidoyl)-α-d-glucopyranouronate

Show simple item record Hayes, John A. Eccles, Kevin S. Elcoate, Curtis J. Daly, Carla A. Lawrence, Simon E. Moynihan, Humphrey A. 2014-07-17T09:05:52Z 2014-07-17T09:05:52Z 2013-03
dc.identifier.citation HAYES, J. A., ECCLES, K. S., ELCOATE, C. J., DALY, C. A., LAWRENCE, S. E. & MOYNIHAN, H. A. 2013. Crystal Polymorphism of Methyl 2,3,4-tri-O-acetyl-1-O-(trichloroacetimidoyl)-α-d-glucopyranouronate. Journal of Chemical Crystallography, 43, 138-143. DOI: en
dc.identifier.volume 43 en
dc.identifier.issued 3 en
dc.identifier.startpage 138 en
dc.identifier.endpage 143 en
dc.identifier.issn 1074-1542
dc.identifier.doi 10.1007/s10870-013-0397-y
dc.description.abstract The polymorphism of the glycoside donor methyl 2,3,4-tri-O-acetyl-1-O-(trichloroacetimidoyl)-α-d-glucopyranouronate (1) has been investigated. Two polymorphic forms (labelled Forms I and II) have been elucidated and fully characterised by DSC, PXRD and single crystal analysis, both crystallizing in the space group P21. Form I was obtained by crystallization from a wide range of solvents, while Form II was obtained only from ethyl acetate or isopropanol on certain occasions. Unit cell dimensions for Form I are a 14.0292(12), b 8.9641(8), c 16.8580(14) Å, β 94.285(2)°, and for Form II a 11.266(3), b 6.8889(17), c 13.921(4) Å, β 101.161(6)°. Z’ is 2 for Form I and 1 for Form II. Form I displays two moderate intermolecular hydrogen bonds in the unit cell whereas Form II shows no moderate hydrogen-bonding motifs. All three molecules in the two polymorphs differ significantly in their conformations, especially with respect to the methyl carboxylate and trichloroacetimidoyl groups en
dc.description.sponsorship Science Foundation Ireland (07/SRC/B1158, 08/RFP/MTR1664, 05/PICA/B802/EC07) en
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher Springer en
dc.rights © Springer Science+Business Media New York 2013. The final publication is available at Springer via en
dc.subject Methyl 2,3,4-tri-O-acetyl-1-O-(trichloroacetimidoyl)-α-d-glucopyranouronate en
dc.subject Polymorphism en
dc.subject Imine hydrogen bonding en
dc.title Crystal polymorphism of methyl 2,3,4-tri-O-acetyl-1-O-(trichloroacetimidoyl)-α-d-glucopyranouronate en
dc.type Article (peer-reviewed) en
dc.internal.authorcontactother Humphrey Moynihan, Chemistry, University College Cork, Cork, Ireland. +353-21-490-3000 Email: en
dc.internal.availability Full text available en 2014-06-18T16:07:03Z
dc.description.version Accepted Version en
dc.internal.rssid 258755159
dc.contributor.funder Science Foundation Ireland en
dc.description.status Peer reviewed en
dc.identifier.journaltitle Journal Of Chemical Crystallography en
dc.internal.copyrightchecked Yes en
dc.internal.licenseacceptance Yes en
dc.internal.IRISemailaddress en
dc.internal.IRISemailaddress en

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