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Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate
In the anion of the title hydrated salt, C(2)H(10)N(2) (2+)·C(21)H(13)N(3)O(8)S(2−)·2H(2)O, the planes of the phenyl rings and the benzene ring of the 5-nitro-2-oxidobenzenesulfonate group are inclined to one another by 44.42 (11), 56.87 (11) and 77.70 (12)°. In the crystal, the anions are linked...
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/PMC6038648/ https://www.ncbi.nlm.nih.gov/pubmed/30002908 http://dx.doi.org/10.1107/S2056989018009118 |
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author | Atioğlu, Zeliha Akkurt, Mehmet Toze, Flavien A. A. Huseynov, Fatali E. Hajiyeva, Sarvinaz F. |
author_facet | Atioğlu, Zeliha Akkurt, Mehmet Toze, Flavien A. A. Huseynov, Fatali E. Hajiyeva, Sarvinaz F. |
author_sort | Atioğlu, Zeliha |
collection | PubMed |
description | In the anion of the title hydrated salt, C(2)H(10)N(2) (2+)·C(21)H(13)N(3)O(8)S(2−)·2H(2)O, the planes of the phenyl rings and the benzene ring of the 5-nitro-2-oxidobenzenesulfonate group are inclined to one another by 44.42 (11), 56.87 (11) and 77.70 (12)°. In the crystal, the anions are linked to the cations and the water molecules by N—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional network. Furthermore, there are face-to-face π–π stacking interactions between the centroids of one phenyl ring and the benzene ring of the 5-nitro-2-oxidobenzenesulfonate group [centroid–centroid distance = 3.8382 (13) Å and slippage = 1.841 Å]. A Hirshfeld surface analysis was conducted to verify the contributions of the different intermolecular interactions. |
format | Online Article Text |
id | pubmed-6038648 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-60386482018-07-12 Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate Atioğlu, Zeliha Akkurt, Mehmet Toze, Flavien A. A. Huseynov, Fatali E. Hajiyeva, Sarvinaz F. Acta Crystallogr E Crystallogr Commun Research Communications In the anion of the title hydrated salt, C(2)H(10)N(2) (2+)·C(21)H(13)N(3)O(8)S(2−)·2H(2)O, the planes of the phenyl rings and the benzene ring of the 5-nitro-2-oxidobenzenesulfonate group are inclined to one another by 44.42 (11), 56.87 (11) and 77.70 (12)°. In the crystal, the anions are linked to the cations and the water molecules by N—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional network. Furthermore, there are face-to-face π–π stacking interactions between the centroids of one phenyl ring and the benzene ring of the 5-nitro-2-oxidobenzenesulfonate group [centroid–centroid distance = 3.8382 (13) Å and slippage = 1.841 Å]. A Hirshfeld surface analysis was conducted to verify the contributions of the different intermolecular interactions. International Union of Crystallography 2018-06-28 /pmc/articles/PMC6038648/ /pubmed/30002908 http://dx.doi.org/10.1107/S2056989018009118 Text en © Atioğlu 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 Atioğlu, Zeliha Akkurt, Mehmet Toze, Flavien A. A. Huseynov, Fatali E. Hajiyeva, Sarvinaz F. Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate |
title | Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate |
title_full | Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate |
title_fullStr | Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate |
title_short | Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate |
title_sort | crystal structure and hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038648/ https://www.ncbi.nlm.nih.gov/pubmed/30002908 http://dx.doi.org/10.1107/S2056989018009118 |
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