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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.

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.

SUBMITTER: Fan XS

PROVIDER: S-EPMC2959421 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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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 Xue-Sen XS Li Xiao-Yan XY Wang Xia X Li Dong-Fang DF Zhang Xin-Ying XY

Acta crystallographica. Section E, Structure reports online 20080913 Pt 10

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 struct ...[more]

PMID: 21201133

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