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

Internet

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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