Conformational polymorphism of 3-(azidomethyl)- benzoic acid

Daniel Decato, Michael Jahnke, Orion Berryman

Research output: Contribution to journalArticlepeer-review


Three conformational polymorphs of 3-(azidomethyl)benzoic acid, C8H7N3O2, are reported. All three structures maintain similar carboxylic acid dimers and π-π stacking. Crystal structure analysis and computational evaluations highlight the azidomethyl group as a source of conformational polymorphism, thus having potential implications in the design of solid-state reactions.

Original languageEnglish
Pages (from-to)344-352
Number of pages9
JournalActa Crystallographica Section C: Structural Chemistry
Issue number9
StatePublished - Aug 10 2023


  • azide
  • benzoic acid
  • computational analysis
  • conformational analysis
  • conformational polymorph
  • crystal structure


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