Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1783439119815278592 |
---|---|
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. |
format | Online Article Text |
id | pubmed-6659345 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT mcadamcjohn structureandhirshfeldsurfaceanalysisofthesaltnnntrimethyl14vinylphenylmethanaminium4vinylbenzenesulfonate AT hantonlyallr structureandhirshfeldsurfaceanalysisofthesaltnnntrimethyl14vinylphenylmethanaminium4vinylbenzenesulfonate AT morattistephenc structureandhirshfeldsurfaceanalysisofthesaltnnntrimethyl14vinylphenylmethanaminium4vinylbenzenesulfonate AT simpsonjim structureandhirshfeldsurfaceanalysisofthesaltnnntrimethyl14vinylphenylmethanaminium4vinylbenzenesulfonate AT wickramasinhageravindran structureandhirshfeldsurfaceanalysisofthesaltnnntrimethyl14vinylphenylmethanaminium4vinylbenzenesulfonate |