Ethyl 4,6-dimethyl-3-oxo-2-phenyl-3,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate monohydrate - Université de Lille Accéder directement au contenu
Article Dans Une Revue IUCrData Année : 2016

Ethyl 4,6-dimethyl-3-oxo-2-phenyl-3,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate monohydrate

Résumé

In the title compound, C17H17N3O3·H2O, the dihedral angle between the 4,6-dimethyl-pyrazolo­[3,4-b]pyridine-3-one unit [maximum deviation = 0.048 (2) Å] and the phenyl ring is 5.1 (1)°. The structure is characterized by disorder of the carboxyl­ate O atoms, which are split into two parts with a major component of 0.898 (4). In the crystal, the organic mol­ecules and lattice water mol­ecules are linked via O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds. The mol­ecules are also linked by C—H⋯π and weak offset π–π stacking inter­actions, forming sheets parallel to (001).

Dates et versions

hal-04556211 , version 1 (23-04-2024)

Identifiants

Citer

Soufiane Akhramez, Abderrafia Hafid, Mostafa Khouili, Olivier Mentre, El Mostafa Ketatni. Ethyl 4,6-dimethyl-3-oxo-2-phenyl-3,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate monohydrate. IUCrData, 2016, IUCrData, 1, ⟨10.1107/S2414314616016199⟩. ⟨hal-04556211⟩
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