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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4647426 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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