Cargando…
Bis{4-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methylpyridinium} 4-fluorobenzenesulfonate nitrate 0.25-hydrate
In the title compound, 2C(16)H(15)N(2) (+)·C(6)H(4)FO(3)S(−)·NO(3) (−)·0.25H(2)O, the two cations are nearly planar, with dihedral angles of 1.34 (14) and 4.6 (2)°, respectively, between the pyridinium and indole rings. The cations each adopt E configurations with respect to the C=C bonds and are in...
Autores principales: | , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968363/ https://www.ncbi.nlm.nih.gov/pubmed/21581874 http://dx.doi.org/10.1107/S1600536809000026 |
_version_ | 1782189852783017984 |
---|---|
author | Chantrapromma, Suchada Fun, Hoong-Kun |
author_facet | Chantrapromma, Suchada Fun, Hoong-Kun |
author_sort | Chantrapromma, Suchada |
collection | PubMed |
description | In the title compound, 2C(16)H(15)N(2) (+)·C(6)H(4)FO(3)S(−)·NO(3) (−)·0.25H(2)O, the two cations are nearly planar, with dihedral angles of 1.34 (14) and 4.6 (2)°, respectively, between the pyridinium and indole rings. The cations each adopt E configurations with respect to the C=C bonds and are inclined to each other with a dihedral angle of 77.66 (5)°. The ethenyl group of one cation is disordered over two sites with occupancies of 0.685 (12) and 0.315 (12), and the sulfonate group of the 4-fluorobenzenesulfonate anion is also disordered with occupancies of 0.535 (10) and 0.465 (10) for the two sets of O atoms. The anion is also inclined to the two cations, with dihedral angles between the mean planes of the benzene ring and the π-conjugated systems of the cations of 24.72 (11) and 79.83 (11)°. In the crystal structure, the cations are stacked in an antiparallel fashion into columns approximately along the a axis and are further linked through the anions into a three-dimensional network via N—H⋯O and C—H⋯O interactions. The water molecule forms O—H⋯O hydrogen bonds to the nitrate anion and C—H⋯π interactions are also observed. |
format | Text |
id | pubmed-2968363 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29683632010-12-30 Bis{4-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methylpyridinium} 4-fluorobenzenesulfonate nitrate 0.25-hydrate Chantrapromma, Suchada Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, 2C(16)H(15)N(2) (+)·C(6)H(4)FO(3)S(−)·NO(3) (−)·0.25H(2)O, the two cations are nearly planar, with dihedral angles of 1.34 (14) and 4.6 (2)°, respectively, between the pyridinium and indole rings. The cations each adopt E configurations with respect to the C=C bonds and are inclined to each other with a dihedral angle of 77.66 (5)°. The ethenyl group of one cation is disordered over two sites with occupancies of 0.685 (12) and 0.315 (12), and the sulfonate group of the 4-fluorobenzenesulfonate anion is also disordered with occupancies of 0.535 (10) and 0.465 (10) for the two sets of O atoms. The anion is also inclined to the two cations, with dihedral angles between the mean planes of the benzene ring and the π-conjugated systems of the cations of 24.72 (11) and 79.83 (11)°. In the crystal structure, the cations are stacked in an antiparallel fashion into columns approximately along the a axis and are further linked through the anions into a three-dimensional network via N—H⋯O and C—H⋯O interactions. The water molecule forms O—H⋯O hydrogen bonds to the nitrate anion and C—H⋯π interactions are also observed. International Union of Crystallography 2009-01-08 /pmc/articles/PMC2968363/ /pubmed/21581874 http://dx.doi.org/10.1107/S1600536809000026 Text en © Chantrapromma and Fun 2009 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 Chantrapromma, Suchada Fun, Hoong-Kun Bis{4-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methylpyridinium} 4-fluorobenzenesulfonate nitrate 0.25-hydrate |
title | Bis{4-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methylpyridinium} 4-fluorobenzenesulfonate nitrate 0.25-hydrate
|
title_full | Bis{4-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methylpyridinium} 4-fluorobenzenesulfonate nitrate 0.25-hydrate
|
title_fullStr | Bis{4-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methylpyridinium} 4-fluorobenzenesulfonate nitrate 0.25-hydrate
|
title_full_unstemmed | Bis{4-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methylpyridinium} 4-fluorobenzenesulfonate nitrate 0.25-hydrate
|
title_short | Bis{4-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methylpyridinium} 4-fluorobenzenesulfonate nitrate 0.25-hydrate
|
title_sort | bis{4-[(e)-2-(1h-indol-3-yl)ethenyl]-1-methylpyridinium} 4-fluorobenzenesulfonate nitrate 0.25-hydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968363/ https://www.ncbi.nlm.nih.gov/pubmed/21581874 http://dx.doi.org/10.1107/S1600536809000026 |
work_keys_str_mv | AT chantraprommasuchada bis4e21hindol3ylethenyl1methylpyridinium4fluorobenzenesulfonatenitrate025hydrate AT funhoongkun bis4e21hindol3ylethenyl1methylpyridinium4fluorobenzenesulfonatenitrate025hydrate |