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Crystal structure of 3-methyl-1-phenyl-6-propyl­amino-1H-pyrazolo[3,4-b]pyridine-5-carbo­nitrile

In the title compound, C(17)H(17)N(5), the dihedral angle between the 1H-pyrazolo­[3,4-b]pyridine ring system (r.m.s. deviation = 0.001 Å) and the attached phenyl group is 2.56 (6)°. The propyl­amino side chain has a contorted conformation [C(ar)—N—C—C = −77.97 (16)° and N—C—C—C = −57.37 (17)°]. An...

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Autores principales: Jasinski, Jerry P., Akkurt, Mehmet, Mohamed, Shaaban K., Abdu-Allah, Hajjaj H. M., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647426/
https://www.ncbi.nlm.nih.gov/pubmed/26594467
http://dx.doi.org/10.1107/S2056989015017004
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author Jasinski, Jerry P.
Akkurt, Mehmet
Mohamed, Shaaban K.
Abdu-Allah, Hajjaj H. M.
Albayati, Mustafa R.
author_facet Jasinski, Jerry P.
Akkurt, Mehmet
Mohamed, Shaaban K.
Abdu-Allah, Hajjaj H. M.
Albayati, Mustafa R.
author_sort Jasinski, Jerry P.
collection PubMed
description In the title compound, C(17)H(17)N(5), the dihedral angle between the 1H-pyrazolo­[3,4-b]pyridine ring system (r.m.s. deviation = 0.001 Å) and the attached phenyl group is 2.56 (6)°. The propyl­amino side chain has a contorted conformation [C(ar)—N—C—C = −77.97 (16)° and N—C—C—C = −57.37 (17)°]. An intra­molecular C—H⋯N inter­action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯N hydrogen bonds generate R (2) (2)(12) loops. Aromatic π–π stacking inter­actions [centroid–centroid distance = 3.5726 (8) Å] are also observed.
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spelling pubmed-46474262015-11-20 Crystal structure of 3-methyl-1-phenyl-6-propyl­amino-1H-pyrazolo[3,4-b]pyridine-5-carbo­nitrile Jasinski, Jerry P. Akkurt, Mehmet Mohamed, Shaaban K. Abdu-Allah, Hajjaj H. M. Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(17)H(17)N(5), the dihedral angle between the 1H-pyrazolo­[3,4-b]pyridine ring system (r.m.s. deviation = 0.001 Å) and the attached phenyl group is 2.56 (6)°. The propyl­amino side chain has a contorted conformation [C(ar)—N—C—C = −77.97 (16)° and N—C—C—C = −57.37 (17)°]. An intra­molecular C—H⋯N inter­action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯N hydrogen bonds generate R (2) (2)(12) loops. Aromatic π–π stacking inter­actions [centroid–centroid distance = 3.5726 (8) Å] are also observed. International Union of Crystallography 2015-09-17 /pmc/articles/PMC4647426/ /pubmed/26594467 http://dx.doi.org/10.1107/S2056989015017004 Text en © Jasinski et al. 2015 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 Data Reports
Jasinski, Jerry P.
Akkurt, Mehmet
Mohamed, Shaaban K.
Abdu-Allah, Hajjaj H. M.
Albayati, Mustafa R.
Crystal structure of 3-methyl-1-phenyl-6-propyl­amino-1H-pyrazolo[3,4-b]pyridine-5-carbo­nitrile
title Crystal structure of 3-methyl-1-phenyl-6-propyl­amino-1H-pyrazolo[3,4-b]pyridine-5-carbo­nitrile
title_full Crystal structure of 3-methyl-1-phenyl-6-propyl­amino-1H-pyrazolo[3,4-b]pyridine-5-carbo­nitrile
title_fullStr Crystal structure of 3-methyl-1-phenyl-6-propyl­amino-1H-pyrazolo[3,4-b]pyridine-5-carbo­nitrile
title_full_unstemmed Crystal structure of 3-methyl-1-phenyl-6-propyl­amino-1H-pyrazolo[3,4-b]pyridine-5-carbo­nitrile
title_short Crystal structure of 3-methyl-1-phenyl-6-propyl­amino-1H-pyrazolo[3,4-b]pyridine-5-carbo­nitrile
title_sort crystal structure of 3-methyl-1-phenyl-6-propyl­amino-1h-pyrazolo[3,4-b]pyridine-5-carbo­nitrile
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647426/
https://www.ncbi.nlm.nih.gov/pubmed/26594467
http://dx.doi.org/10.1107/S2056989015017004
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