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Ethyl 4,6-dimethyl-3-oxo-2-phenyl-3,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate monohydrate
- 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).
- Subjects :
- crystal structure
Hydrogen bond
Maximum deviation
Stacking
biological activity
General Medicine
Crystal structure
Dihedral angle
010402 general chemistry
010403 inorganic & nuclear chemistry
hydrogen bonding
01 natural sciences
0104 chemical sciences
chemistry.chemical_compound
Crystallography
pyrazolo[3,4-b]pyridine derivatives
chemistry
Pyridine
lcsh:QD901-999
Carboxylate
lcsh:Crystallography
Subjects
Details
- Language :
- English
- ISSN :
- 24143146
- Volume :
- 1
- Issue :
- 10
- Database :
- OpenAIRE
- Journal :
- IUCrData
- Accession number :
- edsair.doi.dedup.....fa725a7c07efe74eb797dd186ed74b0a