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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...

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Autores principales: Atioğlu, Zeliha, Akkurt, Mehmet, Toze, Flavien A. A., Huseynov, Fatali E., Hajiyeva, Sarvinaz F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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.
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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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