Ammonium 4-methoxybenzenesulfonate

The molecular structure of the title compound, NH4 +·C7H7O4S-, is featureless [the methoxy C atom deviating 0.173 (6) Å from the phenyl mean plane] with inter-atomic distances and angles in the expected ranges. The main feature of inter-est is the packing mode. Hydro-philic (SO3 and NH4) and hydroph...

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Detalles Bibliográficos
Publicado: 2012
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_16005368_v68_n7_po2228_Suarez
http://hdl.handle.net/20.500.12110/paper_16005368_v68_n7_po2228_Suarez
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_16005368_v68_n7_po2228_Suarez
record_format dspace
spelling paper:paper_16005368_v68_n7_po2228_Suarez2023-06-08T16:25:00Z Ammonium 4-methoxybenzenesulfonate The molecular structure of the title compound, NH4 +·C7H7O4S-, is featureless [the methoxy C atom deviating 0.173 (6) Å from the phenyl mean plane] with inter-atomic distances and angles in the expected ranges. The main feature of inter-est is the packing mode. Hydro-philic (SO3 and NH4) and hydrophobic (PhOCH3) 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. © 2012 International Union of Crystallography. 2012 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_16005368_v68_n7_po2228_Suarez http://hdl.handle.net/20.500.12110/paper_16005368_v68_n7_po2228_Suarez
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description The molecular structure of the title compound, NH4 +·C7H7O4S-, is featureless [the methoxy C atom deviating 0.173 (6) Å from the phenyl mean plane] with inter-atomic distances and angles in the expected ranges. The main feature of inter-est is the packing mode. Hydro-philic (SO3 and NH4) and hydrophobic (PhOCH3) 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. © 2012 International Union of Crystallography.
title Ammonium 4-methoxybenzenesulfonate
spellingShingle Ammonium 4-methoxybenzenesulfonate
title_short Ammonium 4-methoxybenzenesulfonate
title_full Ammonium 4-methoxybenzenesulfonate
title_fullStr Ammonium 4-methoxybenzenesulfonate
title_full_unstemmed Ammonium 4-methoxybenzenesulfonate
title_sort ammonium 4-methoxybenzenesulfonate
publishDate 2012
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_16005368_v68_n7_po2228_Suarez
http://hdl.handle.net/20.500.12110/paper_16005368_v68_n7_po2228_Suarez
_version_ 1768543391561285632

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