1-Cyano­methyl-4-aza-1-azonia­bicyclo­[2.2.2]octane bromide dihydrate

In the crystal structure of the title compound, C(8)H(14)N(3) (+)·Br(−)·2H(2)O, inter­molecular O—H⋯O and O—H⋯Br hydrogen bonding occurs. The water mol­ecules are connected into chains extending in the a-axis direction. The bromide anions are connected to the water mol­ecules, forming 10-membered ri...

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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/PMC3006882/
https://www.ncbi.nlm.nih.gov/pubmed/21587777
http://dx.doi.org/10.1107/S1600536810019926
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author Cai, Ying
author_facet Cai, Ying
author_sort Cai, Ying
collection PubMed
description In the crystal structure of the title compound, C(8)H(14)N(3) (+)·Br(−)·2H(2)O, inter­molecular O—H⋯O and O—H⋯Br hydrogen bonding occurs. The water mol­ecules are connected into chains extending in the a-axis direction. The bromide anions are connected to the water mol­ecules, forming 10-membered rings. The cations are connected to the anions via weak C—H⋯Br inter­actions. Two carbon atoms of the cation are disordered and were refined using a split model (occupancy ratio 0.70:0.3).
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spelling pubmed-30068822010-12-30 1-Cyano­methyl-4-aza-1-azonia­bicyclo­[2.2.2]octane bromide dihydrate Cai, Ying Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(8)H(14)N(3) (+)·Br(−)·2H(2)O, inter­molecular O—H⋯O and O—H⋯Br hydrogen bonding occurs. The water mol­ecules are connected into chains extending in the a-axis direction. The bromide anions are connected to the water mol­ecules, forming 10-membered rings. The cations are connected to the anions via weak C—H⋯Br inter­actions. Two carbon atoms of the cation are disordered and were refined using a split model (occupancy ratio 0.70:0.3). International Union of Crystallography 2010-06-05 /pmc/articles/PMC3006882/ /pubmed/21587777 http://dx.doi.org/10.1107/S1600536810019926 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 bromide dihydrate
title 1-Cyano­methyl-4-aza-1-azonia­bicyclo­[2.2.2]octane bromide dihydrate
title_full 1-Cyano­methyl-4-aza-1-azonia­bicyclo­[2.2.2]octane bromide dihydrate
title_fullStr 1-Cyano­methyl-4-aza-1-azonia­bicyclo­[2.2.2]octane bromide dihydrate
title_full_unstemmed 1-Cyano­methyl-4-aza-1-azonia­bicyclo­[2.2.2]octane bromide dihydrate
title_short 1-Cyano­methyl-4-aza-1-azonia­bicyclo­[2.2.2]octane bromide dihydrate
title_sort 1-cyano­methyl-4-aza-1-azonia­bicyclo­[2.2.2]octane bromide dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006882/
https://www.ncbi.nlm.nih.gov/pubmed/21587777
http://dx.doi.org/10.1107/S1600536810019926
work_keys_str_mv AT caiying 1cyanomethyl4aza1azoniabicyclo222octanebromidedihydrate

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