Castineiras, Alfonso published the artcileMulticomponent Solids of DL-2-Hydroxy-2-phenylacetic Acid and Pyridinecarboxamides, Application of 2-Hydroxy-2-phenylacetic acid, the publication is Crystals (2022), 12(2), 142, database is CAplus.
We prepared cocrystals of DL-2-Hydroxy-2-phenylacetic acid (D, L-H2ma) with the pyridinecarboxamide isomers, picolinamide (pic) and isonicotinamide (inam). They were characterized by elemental anal., single crystal and powder X-ray, IR spectroscopy and 1H and 13C NMR. The crystal and mol. structures of (pic)-(D-H2ma) (1), (nam)-(L-H2ma) (2) and (inam)-(L-H2ma) (3) were studied. The crystal packing is stabilized primarily by hydrogen bonding and in some cases through π-πstacking interactions. The anal. of crystal structures reveals the existence of the characteristic heterosynthons with the binding motif R22(8) (primary amide-carboxilic acid) between pyridinecarboxamide mols. and the acid. Other synthons involve hydrogen bonds such as O-H(carboxyl)···N(pyridine) and O-H(hydroxyl)···N(pyridine) depending on the isomer. The packing of 1 and 3 is formed by tetramers, for whose formation a crystallization mechanism based on two stages is proposed, involving an amide-acid (1) or amide-amide (3) mol. recognition in the first stage and the formation of others, and interdimeric hydrogen bonding interactions in the second. The thermal stability of the cocrystals was studied by differential scanning calorimetry and thermogravimetry. Further studies were conducted to evaluate other physicochem. properties of the cocrystals in comparison to the pure coformers. D.-functional theory (DFT) calculations (including NCIplot and QTAIM analyses) were performed to further characterize and rationalize the noncovalent interactions.
Crystals published new progress about 90-64-2. 90-64-2 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Alcohol,Natural product, name is 2-Hydroxy-2-phenylacetic acid, and the molecular formula is C8H8O3, Application of 2-Hydroxy-2-phenylacetic acid.
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