6533b870fe1ef96bd12d0429
RESEARCH PRODUCT
The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases
Inese SarcevicaLiana OrolaIlpo MutikainenMikelis V. Veidissubject
Steric effectsHydrogen010405 organic chemistryChemistryStereochemistryHydrogen bondSupramolecular chemistrychemistry.chemical_elementGeneral Chemistry010402 general chemistryCondensed Matter Physics01 natural sciences0104 chemical sciencesCrystalchemistry.chemical_compoundCrystallographyPyrogallolAcridineMoietyGeneral Materials Sciencedescription
Structural analysis of the supramolecular cocrystals formed by pyrogallol with acridine, 4,4′-bipyridine, and 1,10-phenanthroline shows that the studied cocrystals are assembled via the hydroxyl–pyridine heterosynthon. In the crystal and molecular structures of these cocrystals in order to form the maximum number of hydrogen bonds, taking into consideration steric effects, the pyrogallol moiety in the supramolecular arrangement has the following conformations: with acridine - syn1, 4,4′-bipyridine - anti, and 1,10-phenanthroline - syn2. Discrete supramolecular complexes are formed by acridine–pyrogallol and the 1,10-phenanthroline–pyrogallol polymorph I. The 1,10-phenanthroline–pyrogallol polymorph II and the 4,4′-bipyridine–pyrogallol trihydrate form extended hydrogen bonded chains.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2012-01-01 | CrystEngComm |