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Crystal structure and Hirshfeld surface analysis of (E)-4-chloro-N-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide N,N-dimethylformamide monosolvate
The asymmetric unit of the title compound, C(15)H(13)ClN(4)O(5)S·C(3)H(7)NO, contains one molecule each of the Schiff base and the solvent dimethylformamide. The hydrazone group adopts an E configuration about the C=N bond. The dihedral angle between the two aromatic rings is 86.58 (2)°. In the c...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947811/ https://www.ncbi.nlm.nih.gov/pubmed/29765731 http://dx.doi.org/10.1107/S205698901800292X |
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author | Purandara, H. Foro, S. Thimme Gowda, B. |
author_facet | Purandara, H. Foro, S. Thimme Gowda, B. |
author_sort | Purandara, H. |
collection | PubMed |
description | The asymmetric unit of the title compound, C(15)H(13)ClN(4)O(5)S·C(3)H(7)NO, contains one molecule each of the Schiff base and the solvent dimethylformamide. The hydrazone group adopts an E configuration about the C=N bond. The dihedral angle between the two aromatic rings is 86.58 (2)°. In the crystal, pairs of N—H⋯O hydrogen bonds between centrosymmetrically related molecules generates rings with an R (2) (2)(10) graph-set motif. The dimers are further linked via N—H⋯O and C—H⋯O hydrogen bonds, leading to the formation of R (3) (3)(11) ring motifs. C—H⋯π interactions are also observed. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis, which indicates that the most significant contacts in packing are O⋯H/H⋯O (31.3%), followed by H⋯H (25.4%) and C⋯H/H⋯C (13.0%). |
format | Online Article Text |
id | pubmed-5947811 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-59478112018-05-15 Crystal structure and Hirshfeld surface analysis of (E)-4-chloro-N-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide N,N-dimethylformamide monosolvate Purandara, H. Foro, S. Thimme Gowda, B. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, C(15)H(13)ClN(4)O(5)S·C(3)H(7)NO, contains one molecule each of the Schiff base and the solvent dimethylformamide. The hydrazone group adopts an E configuration about the C=N bond. The dihedral angle between the two aromatic rings is 86.58 (2)°. In the crystal, pairs of N—H⋯O hydrogen bonds between centrosymmetrically related molecules generates rings with an R (2) (2)(10) graph-set motif. The dimers are further linked via N—H⋯O and C—H⋯O hydrogen bonds, leading to the formation of R (3) (3)(11) ring motifs. C—H⋯π interactions are also observed. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis, which indicates that the most significant contacts in packing are O⋯H/H⋯O (31.3%), followed by H⋯H (25.4%) and C⋯H/H⋯C (13.0%). International Union of Crystallography 2018-02-23 /pmc/articles/PMC5947811/ /pubmed/29765731 http://dx.doi.org/10.1107/S205698901800292X Text en © Purandara 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 Purandara, H. Foro, S. Thimme Gowda, B. Crystal structure and Hirshfeld surface analysis of (E)-4-chloro-N-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide N,N-dimethylformamide monosolvate |
title | Crystal structure and Hirshfeld surface analysis of (E)-4-chloro-N-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide N,N-dimethylformamide monosolvate |
title_full | Crystal structure and Hirshfeld surface analysis of (E)-4-chloro-N-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide N,N-dimethylformamide monosolvate |
title_fullStr | Crystal structure and Hirshfeld surface analysis of (E)-4-chloro-N-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide N,N-dimethylformamide monosolvate |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (E)-4-chloro-N-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide N,N-dimethylformamide monosolvate |
title_short | Crystal structure and Hirshfeld surface analysis of (E)-4-chloro-N-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide N,N-dimethylformamide monosolvate |
title_sort | crystal structure and hirshfeld surface analysis of (e)-4-chloro-n-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide n,n-dimethylformamide monosolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947811/ https://www.ncbi.nlm.nih.gov/pubmed/29765731 http://dx.doi.org/10.1107/S205698901800292X |
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