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

R Alan Aitken*, Fiona M. Fotherby, Alexandra M. Z. Slawin

*Corresponding author for this work

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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.
Original languageEnglish
Article number131610
Number of pages6
JournalJournal of Molecular Structure
Volume1249
Early online date5 Oct 2021
DOIs
Publication statusPublished - 5 Feb 2022

Keywords

  • 1H NMR
  • 13C NMR
  • One-bond spin-spin coupling constant
  • X-ray structure
  • Hydrogen bonding

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