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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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Autor principal: Reiss, Guido J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
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)°.
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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
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