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Crystal structure of N-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide
In the title compound, C(25)H(16)N(2)O(2), the quinoline ring system is essentially planar, with a maximum deviation of 0.030 (1) Å, and forms a dihedral angle of 20.9 (1)° with benzoyl benzene ring. The unsubstituted phenyl ring forms dihedral angles of 52.7 (1)° with the quinoline ring system and...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382631/ https://www.ncbi.nlm.nih.gov/pubmed/28435730 http://dx.doi.org/10.1107/S2056989017004601 |
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author | Peña-Solórzano, Diana König, Burkhard Sierra, Cesar A. Ochoa-Puentes, Cristian |
author_facet | Peña-Solórzano, Diana König, Burkhard Sierra, Cesar A. Ochoa-Puentes, Cristian |
author_sort | Peña-Solórzano, Diana |
collection | PubMed |
description | In the title compound, C(25)H(16)N(2)O(2), the quinoline ring system is essentially planar, with a maximum deviation of 0.030 (1) Å, and forms a dihedral angle of 20.9 (1)° with benzoyl benzene ring. The unsubstituted phenyl ring forms dihedral angles of 52.7 (1)° with the quinoline ring system and 54.1 (1)° with the ethynyl-substituted benzene ring. The molecule contains an intramolecular bifurcated N—H⋯(O,N) hydrogen bond, forming S(5) and S(6) rings, which may influence the conformation of the molecule. In the crystal, weak C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. In addition, the three-dimensional structure contains π–π stacking interactions, with centroid–centroid distances of 3.695 (1) and 3.751 (1) Å. |
format | Online Article Text |
id | pubmed-5382631 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-53826312017-04-21 Crystal structure of N-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide Peña-Solórzano, Diana König, Burkhard Sierra, Cesar A. Ochoa-Puentes, Cristian Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(25)H(16)N(2)O(2), the quinoline ring system is essentially planar, with a maximum deviation of 0.030 (1) Å, and forms a dihedral angle of 20.9 (1)° with benzoyl benzene ring. The unsubstituted phenyl ring forms dihedral angles of 52.7 (1)° with the quinoline ring system and 54.1 (1)° with the ethynyl-substituted benzene ring. The molecule contains an intramolecular bifurcated N—H⋯(O,N) hydrogen bond, forming S(5) and S(6) rings, which may influence the conformation of the molecule. In the crystal, weak C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. In addition, the three-dimensional structure contains π–π stacking interactions, with centroid–centroid distances of 3.695 (1) and 3.751 (1) Å. International Union of Crystallography 2017-03-28 /pmc/articles/PMC5382631/ /pubmed/28435730 http://dx.doi.org/10.1107/S2056989017004601 Text en © Peña-Solórzano et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Peña-Solórzano, Diana König, Burkhard Sierra, Cesar A. Ochoa-Puentes, Cristian Crystal structure of N-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide |
title | Crystal structure of N-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide |
title_full | Crystal structure of N-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide |
title_fullStr | Crystal structure of N-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide |
title_full_unstemmed | Crystal structure of N-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide |
title_short | Crystal structure of N-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide |
title_sort | crystal structure of n-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382631/ https://www.ncbi.nlm.nih.gov/pubmed/28435730 http://dx.doi.org/10.1107/S2056989017004601 |
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