4-(4-Bromo­phen­yl)-4,5,6,7-tetra­hydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile ethanol solvate

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 ri...

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Autores principales: Fan, Xue-Sen, Li, Xiao-Yan, Wang, Xia, Li, Dong-Fang, Zhang, Xin-Ying
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959421/
https://www.ncbi.nlm.nih.gov/pubmed/21201133
http://dx.doi.org/10.1107/S1600536808028638
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author Fan, Xue-Sen
Li, Xiao-Yan
Wang, Xia
Li, Dong-Fang
Zhang, Xin-Ying
author_facet Fan, Xue-Sen
Li, Xiao-Yan
Wang, Xia
Li, Dong-Fang
Zhang, Xin-Ying
author_sort Fan, Xue-Sen
collection PubMed
description 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, mol­ecules are linked via inter­molecular N—H⋯O and O—H⋯N hydrogen bonds. A short inter­molecular N⋯Br contact [3.213 (4) Å] is present in the crystal structure.
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spelling pubmed-29594212010-12-30 4-(4-Bromo­phen­yl)-4,5,6,7-tetra­hydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile ethanol solvate Fan, Xue-Sen Li, Xiao-Yan Wang, Xia Li, Dong-Fang Zhang, Xin-Ying Acta Crystallogr Sect E Struct Rep Online Organic Papers 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, mol­ecules are linked via inter­molecular N—H⋯O and O—H⋯N hydrogen bonds. A short inter­molecular N⋯Br contact [3.213 (4) Å] is present in the crystal structure. International Union of Crystallography 2008-09-13 /pmc/articles/PMC2959421/ /pubmed/21201133 http://dx.doi.org/10.1107/S1600536808028638 Text en © Fan et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Fan, Xue-Sen
Li, Xiao-Yan
Wang, Xia
Li, Dong-Fang
Zhang, Xin-Ying
4-(4-Bromo­phen­yl)-4,5,6,7-tetra­hydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile ethanol solvate
title 4-(4-Bromo­phen­yl)-4,5,6,7-tetra­hydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile ethanol solvate
title_full 4-(4-Bromo­phen­yl)-4,5,6,7-tetra­hydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile ethanol solvate
title_fullStr 4-(4-Bromo­phen­yl)-4,5,6,7-tetra­hydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile ethanol solvate
title_full_unstemmed 4-(4-Bromo­phen­yl)-4,5,6,7-tetra­hydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile ethanol solvate
title_short 4-(4-Bromo­phen­yl)-4,5,6,7-tetra­hydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile ethanol solvate
title_sort 4-(4-bromo­phen­yl)-4,5,6,7-tetra­hydro-3-methyl-6-oxo-1-phenyl-1h-pyrazolo[3,4-b]pyridine-5-carbonitrile ethanol solvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959421/
https://www.ncbi.nlm.nih.gov/pubmed/21201133
http://dx.doi.org/10.1107/S1600536808028638
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