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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...

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Autores principales: Peña-Solórzano, Diana, König, Burkhard, Sierra, Cesar A., Ochoa-Puentes, Cristian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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.
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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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