Structural characteristic of pyridine carboxylic acid adducts with squaric acid
Year: 2025
Type: dataset
Abstract: In this work, squaric acid (3,4-dihydroxycyclobut-3-ene-1,2-dione) was used as a coformer to pyridine carboxylic acid cocrystallization. All of the multicomponent systems mentioned were obtained by cocrystallization from solution via slow solvent evaporation. Among the three newly prepared complexes are an example of a salt–cocrystal continuum – pyridinium-2-carboxylate squaric acid adduct (1) and two ionic complexes – pyridinium-3-carboxylic acid hydrogen squarate hemihydrate (2), and pyridinium-4-carboxylic acid hydrogen squarate (3). The dataset consists of CIF files showing the packing of molecules in the crystal lattice, which may be useful for further theoretical analyses.
Source: RepOD
DOI: 10.18150/k9n87b
Author: Gołdyn, Mateusz
Institution: Adam Mickiewicz University in Poznań
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7115018071