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7-Aminoheptylazanium iodide
The absolute structure of the title compound, [H(3)N-(CH(2))(7)-NH(2)]I, has been determined from the diffraction experiment, the Flack parameter refining to −0.02 (2). In the crystal, adjacent symmetry-related cations are connected by head-to-tail R′H(2)N(+)—H⋯NH(2) R hydrogen bonds, forming chains...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201232/ https://www.ncbi.nlm.nih.gov/pubmed/22058787 http://dx.doi.org/10.1107/S1600536811037329 |
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author | Reiss, Guido J. |
author_facet | Reiss, Guido J. |
author_sort | Reiss, Guido J. |
collection | PubMed |
description | The absolute structure of the title compound, [H(3)N-(CH(2))(7)-NH(2)]I, has been determined from the diffraction experiment, the Flack parameter refining to −0.02 (2). In the crystal, adjacent symmetry-related cations are connected by head-to-tail R′H(2)N(+)—H⋯NH(2) R hydrogen bonds, forming chains along [010]. The remaining four H atoms attached to the amino and the azanium group form weak hydrogen bonds to neighbouring iodide anions, producing a three-dimensional hydrogen-bonded network. The amino group and the aliphatic chain of the 7-aminoheptylazanium cation show an exact all-trans conformation, within experimental uncertainties. The azanium group, to fulfill the needs of hydrogen bonding, is twisted out of the plane defined by the C atoms of the aliphatic chain, the C—C—C—N torsion angle being −65.4 (4)°. |
format | Online Article Text |
id | pubmed-3201232 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32012322011-11-06 7-Aminoheptylazanium iodide Reiss, Guido J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The absolute structure of the title compound, [H(3)N-(CH(2))(7)-NH(2)]I, has been determined from the diffraction experiment, the Flack parameter refining to −0.02 (2). In the crystal, adjacent symmetry-related cations are connected by head-to-tail R′H(2)N(+)—H⋯NH(2) R hydrogen bonds, forming chains along [010]. The remaining four H atoms attached to the amino and the azanium group form weak hydrogen bonds to neighbouring iodide anions, producing a three-dimensional hydrogen-bonded network. The amino group and the aliphatic chain of the 7-aminoheptylazanium cation show an exact all-trans conformation, within experimental uncertainties. The azanium group, to fulfill the needs of hydrogen bonding, is twisted out of the plane defined by the C atoms of the aliphatic chain, the C—C—C—N torsion angle being −65.4 (4)°. International Union of Crystallography 2011-09-17 /pmc/articles/PMC3201232/ /pubmed/22058787 http://dx.doi.org/10.1107/S1600536811037329 Text en © Guido J. Reiss 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 Reiss, Guido J. 7-Aminoheptylazanium iodide |
title | 7-Aminoheptylazanium iodide |
title_full | 7-Aminoheptylazanium iodide |
title_fullStr | 7-Aminoheptylazanium iodide |
title_full_unstemmed | 7-Aminoheptylazanium iodide |
title_short | 7-Aminoheptylazanium iodide |
title_sort | 7-aminoheptylazanium iodide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201232/ https://www.ncbi.nlm.nih.gov/pubmed/22058787 http://dx.doi.org/10.1107/S1600536811037329 |
work_keys_str_mv | AT reissguidoj 7aminoheptylazaniumiodide |