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Ammonium 4-meth­oxy­benzene­sulfonate

The mol­ecular structure of the title compound, NH(4) (+)·C(7)H(7)O(4)S(−), is featureless [the methoxy C atom deviating 0.173 (6) Å from the phenyl mean plane] with inter­atomic distances and angles in the expected ranges. The main feature of inter­est is the packing mode. Hydro­philic (SO(3) and N...

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Detalles Bibliográficos
Autores principales: Suarez, Sebastián, Doctorovich, Fabio, Baggio, Ricardo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394020/
https://www.ncbi.nlm.nih.gov/pubmed/22798885
http://dx.doi.org/10.1107/S1600536812028103
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author Suarez, Sebastián
Doctorovich, Fabio
Baggio, Ricardo
author_facet Suarez, Sebastián
Doctorovich, Fabio
Baggio, Ricardo
author_sort Suarez, Sebastián
collection PubMed
description The mol­ecular structure of the title compound, NH(4) (+)·C(7)H(7)O(4)S(−), is featureless [the methoxy C atom deviating 0.173 (6) Å from the phenyl mean plane] with inter­atomic distances and angles in the expected ranges. The main feature of inter­est is the packing mode. Hydro­philic (SO(3) and NH(4)) and hydro­phobic (PhOCH(3)) parts in the structure segregate, the former inter­acting through a dense hydrogen-bonding scheme, leading to a well connected two-dimensional structure parallel to (100) and the latter hydro­phobic groups acting as spacers for an inter­planar separation of c/2 = 10.205 (2) Å. In spite of being aligned along [110], the benzene rings stack in a far from parallel fashion [viz. consecutive ring centers determine a broken line with a 164.72 (12)° zigzag angle], thus preventing any possible π–π inter­action.
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spelling pubmed-33940202012-07-13 Ammonium 4-meth­oxy­benzene­sulfonate Suarez, Sebastián Doctorovich, Fabio Baggio, Ricardo Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecular structure of the title compound, NH(4) (+)·C(7)H(7)O(4)S(−), is featureless [the methoxy C atom deviating 0.173 (6) Å from the phenyl mean plane] with inter­atomic distances and angles in the expected ranges. The main feature of inter­est is the packing mode. Hydro­philic (SO(3) and NH(4)) and hydro­phobic (PhOCH(3)) parts in the structure segregate, the former inter­acting through a dense hydrogen-bonding scheme, leading to a well connected two-dimensional structure parallel to (100) and the latter hydro­phobic groups acting as spacers for an inter­planar separation of c/2 = 10.205 (2) Å. In spite of being aligned along [110], the benzene rings stack in a far from parallel fashion [viz. consecutive ring centers determine a broken line with a 164.72 (12)° zigzag angle], thus preventing any possible π–π inter­action. International Union of Crystallography 2012-06-27 /pmc/articles/PMC3394020/ /pubmed/22798885 http://dx.doi.org/10.1107/S1600536812028103 Text en © Suarez et al. 2012 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
Suarez, Sebastián
Doctorovich, Fabio
Baggio, Ricardo
Ammonium 4-meth­oxy­benzene­sulfonate
title Ammonium 4-meth­oxy­benzene­sulfonate
title_full Ammonium 4-meth­oxy­benzene­sulfonate
title_fullStr Ammonium 4-meth­oxy­benzene­sulfonate
title_full_unstemmed Ammonium 4-meth­oxy­benzene­sulfonate
title_short Ammonium 4-meth­oxy­benzene­sulfonate
title_sort ammonium 4-meth­oxy­benzene­sulfonate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394020/
https://www.ncbi.nlm.nih.gov/pubmed/22798885
http://dx.doi.org/10.1107/S1600536812028103
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AT baggioricardo ammonium4methoxybenzenesulfonate