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4-(4-Bromo-phen-yl)-4,5,6,7-tetra-hydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile ethanol solvate.

Fan XS, Li XY, Wang X, Li DF, Zhang XY - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The dihedral angle between the bromo-substituted phenyl ring and the pyrazole ring is 79.6 (1)°, and that between the non-substituted phenyl ring and the pyrazole ring is 51.2 (1)°.In the crystal structure, mol-ecules are linked via inter-molecular N-H⋯O and O-H⋯N hydrogen bonds.A short inter-molecular N⋯Br contact [3.213 (4) Å] is present in the crystal structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Chemistry and Environmental Sciences, Henan Key Laboratory for Environmental Pollution Control, Henan Normal University, Xinxiang, Henan 453007, People's Republic of China.

ABSTRACT
In the structure of the title compound, C(20)H(15)BrN(4)O·C(2)H(6)O, the hydrogenated pyridinone ring adopts an envelope conformation. The dihedral angle between the bromo-substituted phenyl ring and the pyrazole ring is 79.6 (1)°, and that between the non-substituted phenyl ring and the pyrazole ring is 51.2 (1)°. In the crystal structure, mol-ecules are linked via inter-molecular N-H⋯O and O-H⋯N hydrogen bonds. A short inter-molecular N⋯Br contact [3.213 (4) Å] is present in the crystal structure.

No MeSH data available.


Molecular structure of the title compound with displacement ellipsoids drawn at the 30% probability level. Dashed line indicates hydrogen bonding.
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Fap1: Molecular structure of the title compound with displacement ellipsoids drawn at the 30% probability level. Dashed line indicates hydrogen bonding.


4-(4-Bromo-phen-yl)-4,5,6,7-tetra-hydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile ethanol solvate.

Fan XS, Li XY, Wang X, Li DF, Zhang XY - Acta Crystallogr Sect E Struct Rep Online (2008)

Molecular structure of the title compound with displacement ellipsoids drawn at the 30% probability level. Dashed line indicates hydrogen bonding.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2959421&req=5

Fap1: Molecular structure of the title compound with displacement ellipsoids drawn at the 30% probability level. Dashed line indicates hydrogen bonding.
Bottom Line: The dihedral angle between the bromo-substituted phenyl ring and the pyrazole ring is 79.6 (1)°, and that between the non-substituted phenyl ring and the pyrazole ring is 51.2 (1)°.In the crystal structure, mol-ecules are linked via inter-molecular N-H⋯O and O-H⋯N hydrogen bonds.A short inter-molecular N⋯Br contact [3.213 (4) Å] is present in the crystal structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Chemistry and Environmental Sciences, Henan Key Laboratory for Environmental Pollution Control, Henan Normal University, Xinxiang, Henan 453007, People's Republic of China.

ABSTRACT
In the structure of the title compound, C(20)H(15)BrN(4)O·C(2)H(6)O, the hydrogenated pyridinone ring adopts an envelope conformation. The dihedral angle between the bromo-substituted phenyl ring and the pyrazole ring is 79.6 (1)°, and that between the non-substituted phenyl ring and the pyrazole ring is 51.2 (1)°. In the crystal structure, mol-ecules are linked via inter-molecular N-H⋯O and O-H⋯N hydrogen bonds. A short inter-molecular N⋯Br contact [3.213 (4) Å] is present in the crystal structure.

No MeSH data available.