dc.contributor.author |
Hayes, John A. |
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dc.contributor.author |
Eccles, Kevin S. |
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dc.contributor.author |
Elcoate, Curtis J. |
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dc.contributor.author |
Daly, Carla A. |
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dc.contributor.author |
Lawrence, Simon E. |
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dc.contributor.author |
Moynihan, Humphrey A. |
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dc.date.accessioned |
2014-07-17T09:05:52Z |
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dc.date.available |
2014-07-17T09:05:52Z |
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dc.date.issued |
2013-03 |
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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: http://dx.doi.org/10.1007/s10870-013-0397-y |
en |
dc.identifier.volume |
43 |
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dc.identifier.issued |
3 |
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dc.identifier.startpage |
138 |
en |
dc.identifier.endpage |
143 |
en |
dc.identifier.issn |
1074-1542 |
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dc.identifier.uri |
http://hdl.handle.net/10468/1589 |
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dc.identifier.doi |
10.1007/s10870-013-0397-y |
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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 |
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dc.description.sponsorship |
Science Foundation Ireland (07/SRC/B1158, 08/RFP/MTR1664, 05/PICA/B802/EC07) |
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dc.format.mimetype |
application/pdf |
en |
dc.language.iso |
en |
en |
dc.publisher |
Springer |
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dc.rights |
© Springer Science+Business Media New York 2013. The final publication is available at Springer via http://dx.doi.org/10.1007/s10870-013-0397-y |
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dc.subject |
Methyl 2,3,4-tri-O-acetyl-1-O-(trichloroacetimidoyl)-α-d-glucopyranouronate |
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dc.subject |
Polymorphism |
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dc.subject |
Imine hydrogen bonding |
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dc.title |
Crystal polymorphism of methyl 2,3,4-tri-O-acetyl-1-O-(trichloroacetimidoyl)-α-d-glucopyranouronate |
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dc.type |
Article (peer-reviewed) |
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dc.internal.authorcontactother |
Humphrey Moynihan, Chemistry, University College Cork, Cork, Ireland. +353-21-490-3000 Email: h.moynihan@ucc.ie |
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dc.internal.availability |
Full text available |
en |
dc.date.updated |
2014-06-18T16:07:03Z |
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dc.description.version |
Accepted Version |
en |
dc.internal.rssid |
258755159 |
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dc.contributor.funder |
Science Foundation Ireland |
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dc.description.status |
Peer reviewed |
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dc.identifier.journaltitle |
Journal Of Chemical Crystallography |
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dc.internal.copyrightchecked |
Yes |
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dc.internal.licenseacceptance |
Yes |
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dc.internal.IRISemailaddress |
h.moynihan@ucc.ie |
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dc.internal.IRISemailaddress |
simon.lawrence@ucc.ie |
en |