TY - JOUR
T1 - Conformational polymorphism of 3-(azidomethyl)- benzoic acid
AU - Decato, Daniel
AU - Jahnke, Michael
AU - Berryman, Orion
N1 - Publisher Copyright:
© 2023 International Union of Crystallography. All rights reserved.
PY - 2023/8/10
Y1 - 2023/8/10
N2 - 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.
AB - 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.
KW - azide
KW - benzoic acid
KW - computational analysis
KW - conformational analysis
KW - conformational polymorph
KW - crystal structure
UR - http://www.scopus.com/inward/record.url?scp=85174489315&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/43bded82-49e2-3de0-9183-36b1adb60cc6/
U2 - 10.1107/S2053229623006824
DO - 10.1107/S2053229623006824
M3 - Article
AN - SCOPUS:85174489315
SN - 2053-2296
VL - 79
SP - 344
EP - 352
JO - Acta Crystallographica Section C: Structural Chemistry
JF - Acta Crystallographica Section C: Structural Chemistry
IS - 9
ER -