Abstract
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 language | English |
|---|---|
| Pages (from-to) | 344-352 |
| Number of pages | 9 |
| Journal | Acta Crystallographica Section C: Structural Chemistry |
| Volume | 79 |
| Issue number | 9 |
| DOIs | |
| State | Published - Aug 10 2023 |
Keywords
- azide
- benzoic acid
- computational analysis
- conformational analysis
- conformational polymorph
- crystal structure