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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

In the title molecule, C(7)H(6)N(4)O(3), the bicyclic ring system is planar with the carboxymethyl group inclined by 81.05 (5)° to this plane. In the crystal, corrugated layers parallel to (010) are generated by N—H⋯O, O—H⋯N and C—H⋯O hydrogen-bonding interactions. The layers are associated thro...

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Detalles Bibliográficos
Autores principales:	Irrou, Ezaddine, Elmachkouri, Younesse Ait, Oubella, Ali, Ouchtak, Hassan, Dalbouha, Samira, Mague, Joel T., Hökelek, Tuncer, El Ghayati, Lhoussaine, Sebbar, Nada Kheira, Taha, Mohamed Labd
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2022
Materias:	Research Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9443805/ https://www.ncbi.nlm.nih.gov/pubmed/36072525 http://dx.doi.org/10.1107/S2056989022008489

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