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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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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… Click to show full 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 through additional C—H⋯π(ring) interactions.

Keywords: structure determination; energy; determination hirshfeld; surface crystal; crystal structure; hirshfeld surface

Journal Title: Acta Crystallographica Section E: Crystallographic Communications
Year Published: 2022

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