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1-Methyl-2-[(E)-2-(2-thien­yl)ethen­yl]quinolinium 4-bromo­benzene­sulfonate

In the title compound, C(16)H(14)NS(+)·C(6)H(4)BrO(3)S(−), the cation exists in an E configuration and is essentially planar, the dihedral angle between the quinolinium and thio­phene rings being 3.45 (9)°. The anion is inclined to the cation with dihedral angles of 75.43 (8) and 72.03 (11)°, respec...

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Autores principales: Fun, Hoong-Kun, Kobkeatthawin, Thawanrat, Chantrapromma, Suchada
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979024/
https://www.ncbi.nlm.nih.gov/pubmed/21579112
http://dx.doi.org/10.1107/S1600536810007488
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author Fun, Hoong-Kun
Kobkeatthawin, Thawanrat
Chantrapromma, Suchada
author_facet Fun, Hoong-Kun
Kobkeatthawin, Thawanrat
Chantrapromma, Suchada
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(16)H(14)NS(+)·C(6)H(4)BrO(3)S(−), the cation exists in an E configuration and is essentially planar, the dihedral angle between the quinolinium and thio­phene rings being 3.45 (9)°. The anion is inclined to the cation with dihedral angles of 75.43 (8) and 72.03 (11)°, respectively between the benzene ring and the quinolinium and thio­phene rings. In the crystal, the cations and anions are arranged individually into separate chains along the c axis. The cation chains are stacked in an anti­parallel manner along the a axis by π⋯π inter­actions with centroid–centroid distances of 3.7257 (13) and 3.7262 (14) Å. Weak C—H⋯O and C—H⋯π inter­actions link the cations and anions into a three-dimensional network. Short Br⋯S [3.7224 (5) Å] and Br⋯O [3.4267 (16) Å] contacts are also observed.
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spelling pubmed-29790242010-12-30 1-Methyl-2-[(E)-2-(2-thien­yl)ethen­yl]quinolinium 4-bromo­benzene­sulfonate Fun, Hoong-Kun Kobkeatthawin, Thawanrat Chantrapromma, Suchada Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(14)NS(+)·C(6)H(4)BrO(3)S(−), the cation exists in an E configuration and is essentially planar, the dihedral angle between the quinolinium and thio­phene rings being 3.45 (9)°. The anion is inclined to the cation with dihedral angles of 75.43 (8) and 72.03 (11)°, respectively between the benzene ring and the quinolinium and thio­phene rings. In the crystal, the cations and anions are arranged individually into separate chains along the c axis. The cation chains are stacked in an anti­parallel manner along the a axis by π⋯π inter­actions with centroid–centroid distances of 3.7257 (13) and 3.7262 (14) Å. Weak C—H⋯O and C—H⋯π inter­actions link the cations and anions into a three-dimensional network. Short Br⋯S [3.7224 (5) Å] and Br⋯O [3.4267 (16) Å] contacts are also observed. International Union of Crystallography 2010-04-10 /pmc/articles/PMC2979024/ /pubmed/21579112 http://dx.doi.org/10.1107/S1600536810007488 Text en © Fun et al. 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
Fun, Hoong-Kun
Kobkeatthawin, Thawanrat
Chantrapromma, Suchada
1-Methyl-2-[(E)-2-(2-thien­yl)ethen­yl]quinolinium 4-bromo­benzene­sulfonate
title 1-Methyl-2-[(E)-2-(2-thien­yl)ethen­yl]quinolinium 4-bromo­benzene­sulfonate
title_full 1-Methyl-2-[(E)-2-(2-thien­yl)ethen­yl]quinolinium 4-bromo­benzene­sulfonate
title_fullStr 1-Methyl-2-[(E)-2-(2-thien­yl)ethen­yl]quinolinium 4-bromo­benzene­sulfonate
title_full_unstemmed 1-Methyl-2-[(E)-2-(2-thien­yl)ethen­yl]quinolinium 4-bromo­benzene­sulfonate
title_short 1-Methyl-2-[(E)-2-(2-thien­yl)ethen­yl]quinolinium 4-bromo­benzene­sulfonate
title_sort 1-methyl-2-[(e)-2-(2-thien­yl)ethen­yl]quinolinium 4-bromo­benzene­sulfonate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979024/
https://www.ncbi.nlm.nih.gov/pubmed/21579112
http://dx.doi.org/10.1107/S1600536810007488
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