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Structure and Hirshfeld surface analysis of the salt N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium 4-vinyl­benzene­sulfonate

In the title compound, the asymmetric unit comprises an N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium cation and a 4-vinyl­benzene­sulfonate anion, C(12)H(18)N(+)·C(8)H(7)O(3)S(−). The salt has a polymerizable vinyl group attached to both the cation and the anion. The methanaminium and vinyl subs...

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Autores principales: McAdam, C. John, Hanton, Lyall R., Moratti, Stephen C., Simpson, Jim, Wickramasinhage, Ravindra N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659345/
https://www.ncbi.nlm.nih.gov/pubmed/31392001
http://dx.doi.org/10.1107/S2056989019007758
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author McAdam, C. John
Hanton, Lyall R.
Moratti, Stephen C.
Simpson, Jim
Wickramasinhage, Ravindra N.
author_facet McAdam, C. John
Hanton, Lyall R.
Moratti, Stephen C.
Simpson, Jim
Wickramasinhage, Ravindra N.
author_sort McAdam, C. John
collection PubMed
description In the title compound, the asymmetric unit comprises an N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium cation and a 4-vinyl­benzene­sulfonate anion, C(12)H(18)N(+)·C(8)H(7)O(3)S(−). The salt has a polymerizable vinyl group attached to both the cation and the anion. The methanaminium and vinyl substituents on the benzene ring of the cation subtend angles of 86.6 (3) and 10.5 (9)° to the ring plane, while the anion is planar excluding the sulfonate O atoms. The vinyl substituent on the benzene ring of the cation is disordered over two sites with a refined occupancy ratio of 0.542 (11):0.458 (11). In the crystal, C—H⋯O hydrogen bonds dominate the packing and combine with a C—H⋯π(ring) contact to stack the cations and anions along the a-axis direction. Hirshfeld surface analysis of the salt and of the individual cation and anion components is also reported.
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spelling pubmed-66593452019-08-07 Structure and Hirshfeld surface analysis of the salt N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium 4-vinyl­benzene­sulfonate McAdam, C. John Hanton, Lyall R. Moratti, Stephen C. Simpson, Jim Wickramasinhage, Ravindra N. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, the asymmetric unit comprises an N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium cation and a 4-vinyl­benzene­sulfonate anion, C(12)H(18)N(+)·C(8)H(7)O(3)S(−). The salt has a polymerizable vinyl group attached to both the cation and the anion. The methanaminium and vinyl substituents on the benzene ring of the cation subtend angles of 86.6 (3) and 10.5 (9)° to the ring plane, while the anion is planar excluding the sulfonate O atoms. The vinyl substituent on the benzene ring of the cation is disordered over two sites with a refined occupancy ratio of 0.542 (11):0.458 (11). In the crystal, C—H⋯O hydrogen bonds dominate the packing and combine with a C—H⋯π(ring) contact to stack the cations and anions along the a-axis direction. Hirshfeld surface analysis of the salt and of the individual cation and anion components is also reported. International Union of Crystallography 2019-06-04 /pmc/articles/PMC6659345/ /pubmed/31392001 http://dx.doi.org/10.1107/S2056989019007758 Text en © McAdam et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
McAdam, C. John
Hanton, Lyall R.
Moratti, Stephen C.
Simpson, Jim
Wickramasinhage, Ravindra N.
Structure and Hirshfeld surface analysis of the salt N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium 4-vinyl­benzene­sulfonate
title Structure and Hirshfeld surface analysis of the salt N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium 4-vinyl­benzene­sulfonate
title_full Structure and Hirshfeld surface analysis of the salt N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium 4-vinyl­benzene­sulfonate
title_fullStr Structure and Hirshfeld surface analysis of the salt N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium 4-vinyl­benzene­sulfonate
title_full_unstemmed Structure and Hirshfeld surface analysis of the salt N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium 4-vinyl­benzene­sulfonate
title_short Structure and Hirshfeld surface analysis of the salt N,N,N-trimethyl-1-(4-vinyl­phen­yl)methanaminium 4-vinyl­benzene­sulfonate
title_sort structure and hirshfeld surface analysis of the salt n,n,n-trimethyl-1-(4-vinyl­phen­yl)methanaminium 4-vinyl­benzene­sulfonate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659345/
https://www.ncbi.nlm.nih.gov/pubmed/31392001
http://dx.doi.org/10.1107/S2056989019007758
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