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Crystal structure and Hirshfeld surface analysis of N,N′-bis(2-nitrophenyl)glutaramide
The asymmetric unit of the title compound, C(17)H(16)N(4)O(6), contains two independent molecules (A and B). The two benzene rings are twisted by an angle of 79.14 (7)° in molecule A, whereas, in molecule B, they are inclined by 19.02 (14)°. The conformations of the molecules are stabilized by i...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176432/ https://www.ncbi.nlm.nih.gov/pubmed/30319800 http://dx.doi.org/10.1107/S2056989018013075 |
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author | Salian, Akshatha R. Foro, Sabine Kumar, S. Madan Thimme Gowda, B. |
author_facet | Salian, Akshatha R. Foro, Sabine Kumar, S. Madan Thimme Gowda, B. |
author_sort | Salian, Akshatha R. |
collection | PubMed |
description | The asymmetric unit of the title compound, C(17)H(16)N(4)O(6), contains two independent molecules (A and B). The two benzene rings are twisted by an angle of 79.14 (7)° in molecule A, whereas, in molecule B, they are inclined by 19.02 (14)°. The conformations of the molecules are stabilized by intramolecular N—H⋯O hydrogen bonds between the amide nitrogen atom and the O atom of the ortho-nitro substituent on the phenyl ring, enclosing an S(6) ring motif. In the amide and aliphatic segments, all the N—H, C=O and C—H bonds are anti to each other. In the crystal, the A and B molecules are linked by intermolecular amide-to-amide N—H⋯O hydrogen bonds, resulting in chains running along the b-axis direction. The intermolecular interactions were analysed using Hirshfeld surface analysis. The two-dimensional fingerprint plots of the intermolecular contacts indicate that the major contributions are from H⋯H and O⋯H interactions. |
format | Online Article Text |
id | pubmed-6176432 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-61764322018-10-12 Crystal structure and Hirshfeld surface analysis of N,N′-bis(2-nitrophenyl)glutaramide Salian, Akshatha R. Foro, Sabine Kumar, S. Madan Thimme Gowda, B. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, C(17)H(16)N(4)O(6), contains two independent molecules (A and B). The two benzene rings are twisted by an angle of 79.14 (7)° in molecule A, whereas, in molecule B, they are inclined by 19.02 (14)°. The conformations of the molecules are stabilized by intramolecular N—H⋯O hydrogen bonds between the amide nitrogen atom and the O atom of the ortho-nitro substituent on the phenyl ring, enclosing an S(6) ring motif. In the amide and aliphatic segments, all the N—H, C=O and C—H bonds are anti to each other. In the crystal, the A and B molecules are linked by intermolecular amide-to-amide N—H⋯O hydrogen bonds, resulting in chains running along the b-axis direction. The intermolecular interactions were analysed using Hirshfeld surface analysis. The two-dimensional fingerprint plots of the intermolecular contacts indicate that the major contributions are from H⋯H and O⋯H interactions. International Union of Crystallography 2018-09-21 /pmc/articles/PMC6176432/ /pubmed/30319800 http://dx.doi.org/10.1107/S2056989018013075 Text en © Salian et al. 2018 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 Salian, Akshatha R. Foro, Sabine Kumar, S. Madan Thimme Gowda, B. Crystal structure and Hirshfeld surface analysis of N,N′-bis(2-nitrophenyl)glutaramide |
title | Crystal structure and Hirshfeld surface analysis of N,N′-bis(2-nitrophenyl)glutaramide |
title_full | Crystal structure and Hirshfeld surface analysis of N,N′-bis(2-nitrophenyl)glutaramide |
title_fullStr | Crystal structure and Hirshfeld surface analysis of N,N′-bis(2-nitrophenyl)glutaramide |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of N,N′-bis(2-nitrophenyl)glutaramide |
title_short | Crystal structure and Hirshfeld surface analysis of N,N′-bis(2-nitrophenyl)glutaramide |
title_sort | crystal structure and hirshfeld surface analysis of n,n′-bis(2-nitrophenyl)glutaramide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176432/ https://www.ncbi.nlm.nih.gov/pubmed/30319800 http://dx.doi.org/10.1107/S2056989018013075 |
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