Proton-transfer dictated supramolecular hydrogen bonded architecture in cytosine with substituted carboxylic acid coformers: Experimental and theoretical investigation by density functional approximations, DLPNO-CCSD(T)-F12, and G0W0 calculations.
The nucleobase cytosine has been utilized for co-crystallization with three coformers (gallic acid, aspirin, and thiazole-4-carboxylic acid) by the solvent grinding method. The resulting salts CYT-GAL, CYT-SAL, and CYT-TCA were characterized by the single-crystal x-ray diffraction technique. Structural analysis reveals...