1-Cyano­methyl-4-aza-1-azoniabicyclo­[2.2.2]octane tetra­fluoro­borate monohydrate

In the title compound, C(8)H(14)N(3) (+)·BF(4) (−)·H(2)O, the cation, anion and water molecule all lie on mirror planes. The BF(4) (−) anion is disordered over two orientations with occupancies refined to 0.57 (2) and 0.43 (2). The water mol­ecule is linked to the cation via an O—H⋯N hydrogen bond....

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Detalles Bibliográficos
Autor principal: Cai, Ying
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979539/
https://www.ncbi.nlm.nih.gov/pubmed/21579492
http://dx.doi.org/10.1107/S1600536810017757
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author Cai, Ying
author_facet Cai, Ying
author_sort Cai, Ying
collection PubMed
description In the title compound, C(8)H(14)N(3) (+)·BF(4) (−)·H(2)O, the cation, anion and water molecule all lie on mirror planes. The BF(4) (−) anion is disordered over two orientations with occupancies refined to 0.57 (2) and 0.43 (2). The water mol­ecule is linked to the cation via an O—H⋯N hydrogen bond. Weak inter­molecular O—H⋯F, C—H⋯O and C—H⋯F hydrogen bonds consolidate the crystal packing.
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spelling pubmed-29795392010-12-30 1-Cyano­methyl-4-aza-1-azoniabicyclo­[2.2.2]octane tetra­fluoro­borate monohydrate Cai, Ying Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(14)N(3) (+)·BF(4) (−)·H(2)O, the cation, anion and water molecule all lie on mirror planes. The BF(4) (−) anion is disordered over two orientations with occupancies refined to 0.57 (2) and 0.43 (2). The water mol­ecule is linked to the cation via an O—H⋯N hydrogen bond. Weak inter­molecular O—H⋯F, C—H⋯O and C—H⋯F hydrogen bonds consolidate the crystal packing. International Union of Crystallography 2010-05-22 /pmc/articles/PMC2979539/ /pubmed/21579492 http://dx.doi.org/10.1107/S1600536810017757 Text en © Ying Cai 2010 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
Cai, Ying
1-Cyano­methyl-4-aza-1-azoniabicyclo­[2.2.2]octane tetra­fluoro­borate monohydrate
title 1-Cyano­methyl-4-aza-1-azoniabicyclo­[2.2.2]octane tetra­fluoro­borate monohydrate
title_full 1-Cyano­methyl-4-aza-1-azoniabicyclo­[2.2.2]octane tetra­fluoro­borate monohydrate
title_fullStr 1-Cyano­methyl-4-aza-1-azoniabicyclo­[2.2.2]octane tetra­fluoro­borate monohydrate
title_full_unstemmed 1-Cyano­methyl-4-aza-1-azoniabicyclo­[2.2.2]octane tetra­fluoro­borate monohydrate
title_short 1-Cyano­methyl-4-aza-1-azoniabicyclo­[2.2.2]octane tetra­fluoro­borate monohydrate
title_sort 1-cyano­methyl-4-aza-1-azoniabicyclo­[2.2.2]octane tetra­fluoro­borate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979539/
https://www.ncbi.nlm.nih.gov/pubmed/21579492
http://dx.doi.org/10.1107/S1600536810017757
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