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231224s2012 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.3862
|2 doi
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|a eng
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|a Apperley, David C
|e verfasserin
|4 aut
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|a NMR characterisation of structure in solvates and polymorphs of formoterol fumarate
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|c 2012
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|a Text
|b txt
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Completed 29.01.2013
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|a Date Revised 19.11.2015
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a Copyright © 2012 John Wiley & Sons, Ltd.
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|a The solid-state structures of two polymorphs and two alcoholates (ethanol and isopropanol) of formoterol fumarate have been investigated by a combination of NMR techniques. First-principles shielding computations are combined with NMR data to successfully relate peaks to their crystallographic positions for the solvates, including atoms that are in equivalent molecular positions. The uncharacterised structure of the asolvate form C is found to contain a single formoterol ion and half a fumarate ion in its asymmetric unit. HETCOR experiments for the ethanolate and form C allow proton chemical shifts to be determined and give improved (13)C resolution for the former compound. Desolvation of the solvates to form C has been monitored under the conditions of the NMR experiment. Differential rates of phenylene ring flipping are observed in the different forms. Carbon-13 relaxation times and (2)H NMR are used to probe dynamics of the fumarate ion
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a Ethanolamines
|2 NLM
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|a Formoterol Fumarate
|2 NLM
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|a W34SHF8J2K
|2 NLM
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|a Markwell, A Fraser
|e verfasserin
|4 aut
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|a Harris, Robin K
|e verfasserin
|4 aut
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|a Hodgkinson, Paul
|e verfasserin
|4 aut
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 50(2012), 10 vom: 17. Okt., Seite 680-90
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|x 1097-458X
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|g volume:50
|g year:2012
|g number:10
|g day:17
|g month:10
|g pages:680-90
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|u http://dx.doi.org/10.1002/mrc.3862
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