Redetermination of ethyl­ene­diammonium bis­(p-methyl­benzene­sulfonate) monohydrate

In the asymmetric unit of the title compound, C(2)H(10)N(2) (2+)·2C(7)H(7)O(3)S(−)·H(2)O, there are two independent 4-methyl­benzene­sulfonate anions, one ethyl­enediammonium cation and a water mol­ecule. The present redetermination was carried out to improve the treatment of disorder, which was not...

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Autores principales: Shen-Tu, Chao, Ma, Lin-Lin, Xu, Wei, Chen, Ying, Jin, Zhi-Min
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2007
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915387/
https://www.ncbi.nlm.nih.gov/pubmed/21200908
http://dx.doi.org/10.1107/S1600536807066573
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author Shen-Tu, Chao
Ma, Lin-Lin
Xu, Wei
Chen, Ying
Jin, Zhi-Min
author_facet Shen-Tu, Chao
Ma, Lin-Lin
Xu, Wei
Chen, Ying
Jin, Zhi-Min
author_sort Shen-Tu, Chao
collection PubMed
description In the asymmetric unit of the title compound, C(2)H(10)N(2) (2+)·2C(7)H(7)O(3)S(−)·H(2)O, there are two independent 4-methyl­benzene­sulfonate anions, one ethyl­enediammonium cation and a water mol­ecule. The present redetermination was carried out to improve the treatment of disorder, which was not refined in the previous study [Ahn & Kim (1985 ▶). J. Korean Chem. Soc. 29, 335–340]. One of the sulfonate groups is disordered over two positions, with site-occupancy factors of 0.588 (14) and 0.412 (14). Inter­molecular N—H⋯O and O—H⋯O hydrogen bonds hold the three components together, affording a layer structure extending parallel to the (001) plane.
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spelling pubmed-29153872010-12-30 Redetermination of ethyl­ene­diammonium bis­(p-methyl­benzene­sulfonate) monohydrate Shen-Tu, Chao Ma, Lin-Lin Xu, Wei Chen, Ying Jin, Zhi-Min Acta Crystallogr Sect E Struct Rep Online Organic Papers In the asymmetric unit of the title compound, C(2)H(10)N(2) (2+)·2C(7)H(7)O(3)S(−)·H(2)O, there are two independent 4-methyl­benzene­sulfonate anions, one ethyl­enediammonium cation and a water mol­ecule. The present redetermination was carried out to improve the treatment of disorder, which was not refined in the previous study [Ahn & Kim (1985 ▶). J. Korean Chem. Soc. 29, 335–340]. One of the sulfonate groups is disordered over two positions, with site-occupancy factors of 0.588 (14) and 0.412 (14). Inter­molecular N—H⋯O and O—H⋯O hydrogen bonds hold the three components together, affording a layer structure extending parallel to the (001) plane. International Union of Crystallography 2007-12-21 /pmc/articles/PMC2915387/ /pubmed/21200908 http://dx.doi.org/10.1107/S1600536807066573 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Organic Papers
Shen-Tu, Chao
Ma, Lin-Lin
Xu, Wei
Chen, Ying
Jin, Zhi-Min
Redetermination of ethyl­ene­diammonium bis­(p-methyl­benzene­sulfonate) monohydrate
title Redetermination of ethyl­ene­diammonium bis­(p-methyl­benzene­sulfonate) monohydrate
title_full Redetermination of ethyl­ene­diammonium bis­(p-methyl­benzene­sulfonate) monohydrate
title_fullStr Redetermination of ethyl­ene­diammonium bis­(p-methyl­benzene­sulfonate) monohydrate
title_full_unstemmed Redetermination of ethyl­ene­diammonium bis­(p-methyl­benzene­sulfonate) monohydrate
title_short Redetermination of ethyl­ene­diammonium bis­(p-methyl­benzene­sulfonate) monohydrate
title_sort redetermination of ethyl­ene­diammonium bis­(p-methyl­benzene­sulfonate) monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915387/
https://www.ncbi.nlm.nih.gov/pubmed/21200908
http://dx.doi.org/10.1107/S1600536807066573
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