Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carb­oxamide

In the title compound, C(13)H(12)N(2)O(2) (I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intra­molecular N—H⋯O hydrogen bond forming an S(7) ring motif. In the crystal, mol­ecules are linked via a pair of N—H...

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Detalles Bibliográficos
Autores principales: Zhong, Qi-Di, Hu, Sheng-Quan, Yan, Hong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770961/
https://www.ncbi.nlm.nih.gov/pubmed/26958371
http://dx.doi.org/10.1107/S2056989016000128
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author Zhong, Qi-Di
Hu, Sheng-Quan
Yan, Hong
author_facet Zhong, Qi-Di
Hu, Sheng-Quan
Yan, Hong
author_sort Zhong, Qi-Di
collection PubMed
description In the title compound, C(13)H(12)N(2)O(2) (I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intra­molecular N—H⋯O hydrogen bond forming an S(7) ring motif. In the crystal, mol­ecules are linked via a pair of N—H⋯O hydrogen bonds forming inversion dimers. C—H⋯O hydrogen bonds link the dimers into chains along direction [10-1]. The chains are further linked by weak C—H⋯π inter­actions forming layers parallel to the ac plane.
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spelling pubmed-47709612016-03-08 Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carb­oxamide Zhong, Qi-Di Hu, Sheng-Quan Yan, Hong Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(13)H(12)N(2)O(2) (I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intra­molecular N—H⋯O hydrogen bond forming an S(7) ring motif. In the crystal, mol­ecules are linked via a pair of N—H⋯O hydrogen bonds forming inversion dimers. C—H⋯O hydrogen bonds link the dimers into chains along direction [10-1]. The chains are further linked by weak C—H⋯π inter­actions forming layers parallel to the ac plane. International Union of Crystallography 2016-01-09 /pmc/articles/PMC4770961/ /pubmed/26958371 http://dx.doi.org/10.1107/S2056989016000128 Text en © Zhong et al. 2016 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 Research Communications
Zhong, Qi-Di
Hu, Sheng-Quan
Yan, Hong
Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carb­oxamide
title Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carb­oxamide
title_full Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carb­oxamide
title_fullStr Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carb­oxamide
title_full_unstemmed Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carb­oxamide
title_short Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carb­oxamide
title_sort crystal structure of 1-benzyl-4-formyl-1h-pyrrole-3-carb­oxamide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770961/
https://www.ncbi.nlm.nih.gov/pubmed/26958371
http://dx.doi.org/10.1107/S2056989016000128
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