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

Authors :
Mostafa Khouili
Soufiane Akhramez
Abderrafia Hafid
Olivier Mentré
El Mostafa Ketatni
Source :
IUCrData, Vol 1, Iss 10, p x161619 (2016)
Publication Year :
2016
Publisher :
International Union of Crystallography, 2016.

Abstract

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).

Details

Language :
English
ISSN :
24143146
Volume :
1
Issue :
10
Database :
OpenAIRE
Journal :
IUCrData
Accession number :
edsair.doi.dedup.....fa725a7c07efe74eb797dd186ed74b0a