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

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 10
The optimized frontier molecular orbitals (HOMO and LUMO) with the energy band gap of (I)

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

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