Crystal structure determination, Hirshfeld surface, crystal void, intermolecular interaction energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)acetic acid
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DOI: 10.1107/s2056989022008489
Abstract: The bicyclic ring system is planar with the carboxymethyl group rotated out of this plane by 81.05 (5)°. In the crystal, corrugated layers are generated by N—H⋯O, O—H⋯N and C—H⋯O hydrogen-bonding interactions. The layers are associated… read more here.
Keywords: structure determination; energy; determination hirshfeld; surface crystal ... See more keywords