Oxalic Acid, a Versatile Coformer for Multicomponent Forms with 9-Ethyladenine
نویسندگان
چکیده
Six new multicomponent solids of 9-ethyladenine and oxalic acid have been detected characterized. The salt screening has performed by mechanochemical solvent crystallization processes. Single crystals the anhydrous salts in 1:1 2:1 nucleobase:coformer molar ratio were obtained solution elucidated single-crystal X-ray analysis. supramolecular interactions observed these studied using density functional theory (DFT) calculations characterized quantum “atoms molecules” (QTAIM) noncovalent interaction plot (NCIPlot) index methods. energies H-bonding networks solid state are reported, disclosing strong nature charge assisted NH···O hydrogen bonds also relative importance ancillary C–H··O H-bonds.
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ژورنال
عنوان ژورنال: Crystals
سال: 2022
ISSN: ['2073-4352']
DOI: https://doi.org/10.3390/cryst12010089