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Tetra­ethyl­ammonium 7,12-di­cyano-1-carba-closo-dodeca­borate

In the title compound, C(8)H(20)N(+)·C(3)H(10)B(11)N(2) (−), the carborane anion cage displays nearly-perfect C(s) symmetry, with the two CN groups lying on a noncrystallographic mirror plane that bis­ects the cage. In the crystal, the anions form extended chains along the a-axis direction, with C—H...

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Autores principales: Juhasz, Marcus A., Juers, Douglas H., Dwulet, Gregory E., Rosenbaum, Aaron J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998626/
https://www.ncbi.nlm.nih.gov/pubmed/24826126
http://dx.doi.org/10.1107/S1600536814004759
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author Juhasz, Marcus A.
Juers, Douglas H.
Dwulet, Gregory E.
Rosenbaum, Aaron J.
author_facet Juhasz, Marcus A.
Juers, Douglas H.
Dwulet, Gregory E.
Rosenbaum, Aaron J.
author_sort Juhasz, Marcus A.
collection PubMed
description In the title compound, C(8)H(20)N(+)·C(3)H(10)B(11)N(2) (−), the carborane anion cage displays nearly-perfect C(s) symmetry, with the two CN groups lying on a noncrystallographic mirror plane that bis­ects the cage. In the crystal, the anions form extended chains along the a-axis direction, with C—H⋯N hydrogen bonds linking consecutive anions. The C N bond lengths (and B—C N angles) in the nitrile moities are 1.1201 (19) Å, 178.60 (15)° and 1.1433 (17) Å, 179.45 (15)°, similar to those observed in organic nitriles. A hydrogen bond between a methylene H atom of the cation and the N atom in one of the nitrile groups of the anion is the closest contact between the anion and cation, at 2.52 Å.
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spelling pubmed-39986262014-05-13 Tetra­ethyl­ammonium 7,12-di­cyano-1-carba-closo-dodeca­borate Juhasz, Marcus A. Juers, Douglas H. Dwulet, Gregory E. Rosenbaum, Aaron J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(20)N(+)·C(3)H(10)B(11)N(2) (−), the carborane anion cage displays nearly-perfect C(s) symmetry, with the two CN groups lying on a noncrystallographic mirror plane that bis­ects the cage. In the crystal, the anions form extended chains along the a-axis direction, with C—H⋯N hydrogen bonds linking consecutive anions. The C N bond lengths (and B—C N angles) in the nitrile moities are 1.1201 (19) Å, 178.60 (15)° and 1.1433 (17) Å, 179.45 (15)°, similar to those observed in organic nitriles. A hydrogen bond between a methylene H atom of the cation and the N atom in one of the nitrile groups of the anion is the closest contact between the anion and cation, at 2.52 Å. International Union of Crystallography 2014-03-12 /pmc/articles/PMC3998626/ /pubmed/24826126 http://dx.doi.org/10.1107/S1600536814004759 Text en © Juhasz et al. 2014 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
Juhasz, Marcus A.
Juers, Douglas H.
Dwulet, Gregory E.
Rosenbaum, Aaron J.
Tetra­ethyl­ammonium 7,12-di­cyano-1-carba-closo-dodeca­borate
title Tetra­ethyl­ammonium 7,12-di­cyano-1-carba-closo-dodeca­borate
title_full Tetra­ethyl­ammonium 7,12-di­cyano-1-carba-closo-dodeca­borate
title_fullStr Tetra­ethyl­ammonium 7,12-di­cyano-1-carba-closo-dodeca­borate
title_full_unstemmed Tetra­ethyl­ammonium 7,12-di­cyano-1-carba-closo-dodeca­borate
title_short Tetra­ethyl­ammonium 7,12-di­cyano-1-carba-closo-dodeca­borate
title_sort tetra­ethyl­ammonium 7,12-di­cyano-1-carba-closo-dodeca­borate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998626/
https://www.ncbi.nlm.nih.gov/pubmed/24826126
http://dx.doi.org/10.1107/S1600536814004759
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