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Structure and NMR spectra of bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid and its anhydride

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Date
05/02/2022
Author
Aitken, R Alan
Fotherby, Fiona M.
Slawin, Alexandra M. Z.
Keywords
1H NMR
13C NMR
One-bond spin-spin coupling constant
X-ray structure
Hydrogen bonding
QD Chemistry
DAS
MCC
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Abstract
Two of the three published sets of 1H and 13C NMR data for bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic anhydride have been found to actually be those of the corresponding diacid. The NMR spectroscopic distinction between these two compounds is clarified and 1JC–H values are reported for the anhydride, the diacid and a related diester. The X-ray structure of the diacid has been determined and features chains of molecules involving both intra- and inter-molecular hydrogen bonding.
Citation
Aitken , R A , Fotherby , F M & Slawin , A M Z 2022 , ' Structure and NMR spectra of bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid and its anhydride ' , Journal of Molecular Structure , vol. 1249 , 131610 . https://doi.org/10.1016/j.molstruc.2021.131610
Publication
Journal of Molecular Structure
Status
Peer reviewed
DOI
https://doi.org/10.1016/j.molstruc.2021.131610
ISSN
0022-2860
Type
Journal article
Rights
Copyright © 2021 Elsevier B.V. All rights reserved. This work has been made available online in accordance with publisher policies or with permission. Permission for further reuse of this content should be sought from the publisher or the rights holder. This is the author created accepted manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1016/j.molstruc.2021.131610
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  • University of St Andrews Research
URL
https://www.sciencedirect.com/science/article/pii/S0022286021017385?via=ihub#sec0013
URI
http://hdl.handle.net/10023/26096

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