1-Hexyl-1,3,6,8-tetra­aza­tricyclo­[4.3.1.1(3,8)]undecan-1-ium iodide

In the title compound, C(13)H(27)N(4) (+)·I(−), the ethyl­ene bridge is distorted from the ideal D (2d) symmetry wherein an N—C—C—N planar bridge, around whose C—C bond the C—N and C—H bonds are exactly eclipsed, is disordered over two sites with equal occupancies. In both disorder components, the h...

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Autores principales: Rivera, Augusto, Sadat-Bernal, John, Ríos-Motta, Jaime, Fejfarová, Karla, Dušek, Michal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254358/
https://www.ncbi.nlm.nih.gov/pubmed/22259454
http://dx.doi.org/10.1107/S1600536811050781
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author Rivera, Augusto
Sadat-Bernal, John
Ríos-Motta, Jaime
Fejfarová, Karla
Dušek, Michal
author_facet Rivera, Augusto
Sadat-Bernal, John
Ríos-Motta, Jaime
Fejfarová, Karla
Dušek, Michal
author_sort Rivera, Augusto
collection PubMed
description In the title compound, C(13)H(27)N(4) (+)·I(−), the ethyl­ene bridge is distorted from the ideal D (2d) symmetry wherein an N—C—C—N planar bridge, around whose C—C bond the C—N and C—H bonds are exactly eclipsed, is disordered over two sites with equal occupancies. In both disorder components, the hexyl chain adopts an ideal all-trans conformation. In the crystal, adjacent ions are connected by C—H⋯I hydrogen bonds, forming ionic pairs that are further linked into chains along [101] via a second C—H⋯I inter­action.
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spelling pubmed-32543582012-01-18 1-Hexyl-1,3,6,8-tetra­aza­tricyclo­[4.3.1.1(3,8)]undecan-1-ium iodide Rivera, Augusto Sadat-Bernal, John Ríos-Motta, Jaime Fejfarová, Karla Dušek, Michal Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(27)N(4) (+)·I(−), the ethyl­ene bridge is distorted from the ideal D (2d) symmetry wherein an N—C—C—N planar bridge, around whose C—C bond the C—N and C—H bonds are exactly eclipsed, is disordered over two sites with equal occupancies. In both disorder components, the hexyl chain adopts an ideal all-trans conformation. In the crystal, adjacent ions are connected by C—H⋯I hydrogen bonds, forming ionic pairs that are further linked into chains along [101] via a second C—H⋯I inter­action. International Union of Crystallography 2011-12-03 /pmc/articles/PMC3254358/ /pubmed/22259454 http://dx.doi.org/10.1107/S1600536811050781 Text en © Rivera et al. 2012 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
Rivera, Augusto
Sadat-Bernal, John
Ríos-Motta, Jaime
Fejfarová, Karla
Dušek, Michal
1-Hexyl-1,3,6,8-tetra­aza­tricyclo­[4.3.1.1(3,8)]undecan-1-ium iodide
title 1-Hexyl-1,3,6,8-tetra­aza­tricyclo­[4.3.1.1(3,8)]undecan-1-ium iodide
title_full 1-Hexyl-1,3,6,8-tetra­aza­tricyclo­[4.3.1.1(3,8)]undecan-1-ium iodide
title_fullStr 1-Hexyl-1,3,6,8-tetra­aza­tricyclo­[4.3.1.1(3,8)]undecan-1-ium iodide
title_full_unstemmed 1-Hexyl-1,3,6,8-tetra­aza­tricyclo­[4.3.1.1(3,8)]undecan-1-ium iodide
title_short 1-Hexyl-1,3,6,8-tetra­aza­tricyclo­[4.3.1.1(3,8)]undecan-1-ium iodide
title_sort 1-hexyl-1,3,6,8-tetra­aza­tricyclo­[4.3.1.1(3,8)]undecan-1-ium iodide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254358/
https://www.ncbi.nlm.nih.gov/pubmed/22259454
http://dx.doi.org/10.1107/S1600536811050781
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