The crystal structure of the 1 : 1 adduct of
N-methylaniline with 5-nitrofuran-2-carboxylic acid has
been determined by single-crystal X-ray diffraction. Crystals are monoclinic,
space group
P21/c
with Z 4 in a cell of dimensions a
8·467(5), b 6·106(2),
c 23·95(1) Å, β 94·48(3)°.
The molecules associate in a tetrameric, proton-transfer formation which has
potential as a new supramolecular synthon.
Supramolecular synthon pattern in solid clioquinol and cloxiquine (APIs of antibacterial, antifungal, antiaging and antituberculosis drugs) studied by 35Cl NQR, 1H-17O and 1H-14N NQDR and DFT/QTAIM