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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...

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Autores principales: Salian, Akshatha R., Foro, Sabine, Kumar, S. Madan, Thimme Gowda, B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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.
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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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