1-Carboxymethyl-1′-carboxylatomethyl-3,3′-[p-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate

In the crystal structure of the title salt, C(22)H(21)N(2)O(6) (+)·Br(−)·2H(2)O, pairs of betaine mol­ecules are bridged by protons (the bridging proton is disordered), forming strong and symmetrical O—H⋯O hydrogen bonds, leading to an infinite chain along the b axis. The water mol­ecules are linked...

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Detalles Bibliográficos
Autores principales: Lian, Hong-Lei, Pan, Wei-Cheng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983144/
https://www.ncbi.nlm.nih.gov/pubmed/21587627
http://dx.doi.org/10.1107/S1600536810037748
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author Lian, Hong-Lei
Pan, Wei-Cheng
author_facet Lian, Hong-Lei
Pan, Wei-Cheng
author_sort Lian, Hong-Lei
collection PubMed
description In the crystal structure of the title salt, C(22)H(21)N(2)O(6) (+)·Br(−)·2H(2)O, pairs of betaine mol­ecules are bridged by protons (the bridging proton is disordered), forming strong and symmetrical O—H⋯O hydrogen bonds, leading to an infinite chain along the b axis. The water mol­ecules are linked to the betaine mol­ecule and the bromide ion through O—H⋯O and O—H⋯Br inter­actions. The central ring, located on an inversion centre, makes dihedral angles of 1.2 (2)° with the outer rings. One of the carboxylic acid groups is deprotonated.
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spelling pubmed-29831442010-12-30 1-Carboxymethyl-1′-carboxylatomethyl-3,3′-[p-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate Lian, Hong-Lei Pan, Wei-Cheng Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title salt, C(22)H(21)N(2)O(6) (+)·Br(−)·2H(2)O, pairs of betaine mol­ecules are bridged by protons (the bridging proton is disordered), forming strong and symmetrical O—H⋯O hydrogen bonds, leading to an infinite chain along the b axis. The water mol­ecules are linked to the betaine mol­ecule and the bromide ion through O—H⋯O and O—H⋯Br inter­actions. The central ring, located on an inversion centre, makes dihedral angles of 1.2 (2)° with the outer rings. One of the carboxylic acid groups is deprotonated. International Union of Crystallography 2010-09-30 /pmc/articles/PMC2983144/ /pubmed/21587627 http://dx.doi.org/10.1107/S1600536810037748 Text en © Lian and Pan 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
Lian, Hong-Lei
Pan, Wei-Cheng
1-Carboxymethyl-1′-carboxylatomethyl-3,3′-[p-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate
title 1-Carboxymethyl-1′-carboxylatomethyl-3,3′-[p-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate
title_full 1-Carboxymethyl-1′-carboxylatomethyl-3,3′-[p-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate
title_fullStr 1-Carboxymethyl-1′-carboxylatomethyl-3,3′-[p-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate
title_full_unstemmed 1-Carboxymethyl-1′-carboxylatomethyl-3,3′-[p-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate
title_short 1-Carboxymethyl-1′-carboxylatomethyl-3,3′-[p-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate
title_sort 1-carboxymethyl-1′-carboxylatomethyl-3,3′-[p-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983144/
https://www.ncbi.nlm.nih.gov/pubmed/21587627
http://dx.doi.org/10.1107/S1600536810037748
work_keys_str_mv AT lianhonglei 1carboxymethyl1carboxylatomethyl33pphenylenebisoxymethylenedipyridiniumbromidedihydrate
AT panweicheng 1carboxymethyl1carboxylatomethyl33pphenylenebisoxymethylenedipyridiniumbromidedihydrate

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