4-(Cyano­meth­yl)anilinium 4-methyl­benzene­sulfonate monohydrate

In the title salt, C(8)H(9)N(2) (+)·C(7)H(7)O(3)S(−)·H(2)O, the dihedral angle between the cation and anion benzene rings is 50.1 (4)°. In the cation, the cyano­methyl group is twisted from the plane of the benzene ring [C—C—C—N = −86 (12)°]. In the crystal, the cations, anions and water mol­ecules...

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Autor principal: Lin, Jin Rui
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007019/
https://www.ncbi.nlm.nih.gov/pubmed/21587801
http://dx.doi.org/10.1107/S1600536810020180
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author Lin, Jin Rui
author_facet Lin, Jin Rui
author_sort Lin, Jin Rui
collection PubMed
description In the title salt, C(8)H(9)N(2) (+)·C(7)H(7)O(3)S(−)·H(2)O, the dihedral angle between the cation and anion benzene rings is 50.1 (4)°. In the cation, the cyano­methyl group is twisted from the plane of the benzene ring [C—C—C—N = −86 (12)°]. In the crystal, the cations, anions and water mol­ecules are linked by N—H⋯O and O—H⋯O hydrogen bonds, forming a chain along the c axis.
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spelling pubmed-30070192010-12-30 4-(Cyano­meth­yl)anilinium 4-methyl­benzene­sulfonate monohydrate Lin, Jin Rui Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(8)H(9)N(2) (+)·C(7)H(7)O(3)S(−)·H(2)O, the dihedral angle between the cation and anion benzene rings is 50.1 (4)°. In the cation, the cyano­methyl group is twisted from the plane of the benzene ring [C—C—C—N = −86 (12)°]. In the crystal, the cations, anions and water mol­ecules are linked by N—H⋯O and O—H⋯O hydrogen bonds, forming a chain along the c axis. International Union of Crystallography 2010-06-05 /pmc/articles/PMC3007019/ /pubmed/21587801 http://dx.doi.org/10.1107/S1600536810020180 Text en © Jin Rui Lin 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
Lin, Jin Rui
4-(Cyano­meth­yl)anilinium 4-methyl­benzene­sulfonate monohydrate
title 4-(Cyano­meth­yl)anilinium 4-methyl­benzene­sulfonate monohydrate
title_full 4-(Cyano­meth­yl)anilinium 4-methyl­benzene­sulfonate monohydrate
title_fullStr 4-(Cyano­meth­yl)anilinium 4-methyl­benzene­sulfonate monohydrate
title_full_unstemmed 4-(Cyano­meth­yl)anilinium 4-methyl­benzene­sulfonate monohydrate
title_short 4-(Cyano­meth­yl)anilinium 4-methyl­benzene­sulfonate monohydrate
title_sort 4-(cyano­meth­yl)anilinium 4-methyl­benzene­sulfonate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007019/
https://www.ncbi.nlm.nih.gov/pubmed/21587801
http://dx.doi.org/10.1107/S1600536810020180
work_keys_str_mv AT linjinrui 4cyanomethylanilinium4methylbenzenesulfonatemonohydrate

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