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4-Aza-1-azoniabicyclo[2.2.2]octane–2-aminobenzoate–2-aminobenzoic acid (1/1/1)
A 4-aza-1-azoniabicyclo[2.2.2]octane cation, a 2-aminobenzoate anion and a neutral 2-aminobenzoic acid molecule comprise the asymmetric unit of the title compound, C(6)H(13)N(2) (+)·C(7)H(6)NO(2) (−)·C(7)H(7)NO(2). An intramolecular N—H⋯O hydrogen bond occurs in the anion and in the neutral 2-a...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247346/ https://www.ncbi.nlm.nih.gov/pubmed/22219964 http://dx.doi.org/10.1107/S1600536811041559 |
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author | Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. |
author_facet | Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. |
author_sort | Arman, Hadi D. |
collection | PubMed |
description | A 4-aza-1-azoniabicyclo[2.2.2]octane cation, a 2-aminobenzoate anion and a neutral 2-aminobenzoic acid molecule comprise the asymmetric unit of the title compound, C(6)H(13)N(2) (+)·C(7)H(6)NO(2) (−)·C(7)H(7)NO(2). An intramolecular N—H⋯O hydrogen bond occurs in the anion and in the neutral 2-aminobenzoic acid molecule. The cation provides a charge-assisted N—H⋯O hydrogen bond to the anion, and the 2-aminobenzoic acid molecule forms an O—H⋯N hydrogen bond to the unprotonated amino N atom in the cation. In this way, a three-component aggregate is formed. These are connected into a three-dimensional network by amino–carboxylate N—H⋯O hydrogen bonds. N—H⋯N hydrogen bonds are also observed. |
format | Online Article Text |
id | pubmed-3247346 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32473462012-01-04 4-Aza-1-azoniabicyclo[2.2.2]octane–2-aminobenzoate–2-aminobenzoic acid (1/1/1) Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers A 4-aza-1-azoniabicyclo[2.2.2]octane cation, a 2-aminobenzoate anion and a neutral 2-aminobenzoic acid molecule comprise the asymmetric unit of the title compound, C(6)H(13)N(2) (+)·C(7)H(6)NO(2) (−)·C(7)H(7)NO(2). An intramolecular N—H⋯O hydrogen bond occurs in the anion and in the neutral 2-aminobenzoic acid molecule. The cation provides a charge-assisted N—H⋯O hydrogen bond to the anion, and the 2-aminobenzoic acid molecule forms an O—H⋯N hydrogen bond to the unprotonated amino N atom in the cation. In this way, a three-component aggregate is formed. These are connected into a three-dimensional network by amino–carboxylate N—H⋯O hydrogen bonds. N—H⋯N hydrogen bonds are also observed. International Union of Crystallography 2011-10-12 /pmc/articles/PMC3247346/ /pubmed/22219964 http://dx.doi.org/10.1107/S1600536811041559 Text en © Arman et al. 2011 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 Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. 4-Aza-1-azoniabicyclo[2.2.2]octane–2-aminobenzoate–2-aminobenzoic acid (1/1/1) |
title | 4-Aza-1-azoniabicyclo[2.2.2]octane–2-aminobenzoate–2-aminobenzoic acid (1/1/1) |
title_full | 4-Aza-1-azoniabicyclo[2.2.2]octane–2-aminobenzoate–2-aminobenzoic acid (1/1/1) |
title_fullStr | 4-Aza-1-azoniabicyclo[2.2.2]octane–2-aminobenzoate–2-aminobenzoic acid (1/1/1) |
title_full_unstemmed | 4-Aza-1-azoniabicyclo[2.2.2]octane–2-aminobenzoate–2-aminobenzoic acid (1/1/1) |
title_short | 4-Aza-1-azoniabicyclo[2.2.2]octane–2-aminobenzoate–2-aminobenzoic acid (1/1/1) |
title_sort | 4-aza-1-azoniabicyclo[2.2.2]octane–2-aminobenzoate–2-aminobenzoic acid (1/1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247346/ https://www.ncbi.nlm.nih.gov/pubmed/22219964 http://dx.doi.org/10.1107/S1600536811041559 |
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