Cargando…
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...
Autores principales: | , , |
---|---|
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 |
_version_ | 1782237805030670336 |
---|---|
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. |
format | Online Article Text |
id | pubmed-3394020 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT suarezsebastian ammonium4methoxybenzenesulfonate AT doctorovichfabio ammonium4methoxybenzenesulfonate AT baggioricardo ammonium4methoxybenzenesulfonate |