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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-2979194 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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