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4-Nitro­anilinium triiodide monohydrate

In the title compound, C(6)H(7)N(2)O(2) (+)·I(3) (−)·H(2)O, the triiodide anions form two-dimensional sheets along the a and c axes. These sheets are separated by the 4-nitro­anilinium cations and water mol­ecules, which form part of an extended hydrogen-bonded chain with the triiodide along the c a...

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Detalles Bibliográficos
Autores principales: Billing, David G., Black, Robert S., Hexana, Wonga M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979194/
https://www.ncbi.nlm.nih.gov/pubmed/21579225
http://dx.doi.org/10.1107/S1600536810014674
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author Billing, David G.
Black, Robert S.
Hexana, Wonga M.
author_facet Billing, David G.
Black, Robert S.
Hexana, Wonga M.
author_sort Billing, David G.
collection PubMed
description In the title compound, C(6)H(7)N(2)O(2) (+)·I(3) (−)·H(2)O, the triiodide anions form two-dimensional sheets along the a and c axes. These sheets are separated by the 4-nitro­anilinium cations and water mol­ecules, which form part of an extended hydrogen-bonded chain with the triiodide along the c axis, represented by the graph set C (3) (3)(14). The second important hydrogen-bonding inter­action is between the nitro group, the water mol­ecule and the anilinium group, which forms an R (2) (2)(6) ring and may be the reason for the deviation of the torsion angle between the benzene ring and the nitro group from 180 to 163.2 (4)°. These two strong hydrogen-bonding inter­actions also cause the benzene rings to pack off-centre from one another, with an edge-on-edge π–π stacking distance of 3.634 (6) Å and a centroid–centroid separation of 4.843 (2) Å.
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spelling pubmed-29791942010-12-30 4-Nitro­anilinium triiodide monohydrate Billing, David G. Black, Robert S. Hexana, Wonga M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(6)H(7)N(2)O(2) (+)·I(3) (−)·H(2)O, the triiodide anions form two-dimensional sheets along the a and c axes. These sheets are separated by the 4-nitro­anilinium cations and water mol­ecules, which form part of an extended hydrogen-bonded chain with the triiodide along the c axis, represented by the graph set C (3) (3)(14). The second important hydrogen-bonding inter­action is between the nitro group, the water mol­ecule and the anilinium group, which forms an R (2) (2)(6) ring and may be the reason for the deviation of the torsion angle between the benzene ring and the nitro group from 180 to 163.2 (4)°. These two strong hydrogen-bonding inter­actions also cause the benzene rings to pack off-centre from one another, with an edge-on-edge π–π stacking distance of 3.634 (6) Å and a centroid–centroid separation of 4.843 (2) Å. International Union of Crystallography 2010-04-28 /pmc/articles/PMC2979194/ /pubmed/21579225 http://dx.doi.org/10.1107/S1600536810014674 Text en © Billing et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Billing, David G.
Black, Robert S.
Hexana, Wonga M.
4-Nitro­anilinium triiodide monohydrate
title 4-Nitro­anilinium triiodide monohydrate
title_full 4-Nitro­anilinium triiodide monohydrate
title_fullStr 4-Nitro­anilinium triiodide monohydrate
title_full_unstemmed 4-Nitro­anilinium triiodide monohydrate
title_short 4-Nitro­anilinium triiodide monohydrate
title_sort 4-nitro­anilinium triiodide monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979194/
https://www.ncbi.nlm.nih.gov/pubmed/21579225
http://dx.doi.org/10.1107/S1600536810014674
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