2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­quinolinium iodide dihydrate

In the title compound, C(20)H(20)NO(+)·I(−)·2H(2)O, the cation is almost planar (r.m.s. deviation = 0.038 Å) and exists in an E configuration. The dihedral angle between the quinolinium ring system and the benzene ring is 0.7 (4)°. In the crystal structure, the cations are stacked in an anti-paralle...

Descripción completa

Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Chanawanno, Kullapa, Kobkeatthawin, Thawanrat, Chantrapromma, Suchada
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984024/
https://www.ncbi.nlm.nih.gov/pubmed/21580746
http://dx.doi.org/10.1107/S1600536810010548
_version_ 1782192015695413248
author Fun, Hoong-Kun
Chanawanno, Kullapa
Kobkeatthawin, Thawanrat
Chantrapromma, Suchada
author_facet Fun, Hoong-Kun
Chanawanno, Kullapa
Kobkeatthawin, Thawanrat
Chantrapromma, Suchada
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(20)H(20)NO(+)·I(−)·2H(2)O, the cation is almost planar (r.m.s. deviation = 0.038 Å) and exists in an E configuration. The dihedral angle between the quinolinium ring system and the benzene ring is 0.7 (4)°. In the crystal structure, the cations are stacked in an anti-parallel manner along [100] with π–π inter­actions between the pyridinium and ethoxy­benzene rings [centroid–centroid distance = 3.678 (5) Å]. The cations, iodide anions and water mol­ecules are linked together through O—H⋯O, O—H⋯I and C—H⋯I hydrogen bonds into a two-dimensional network parallel to (001).
format Text
id pubmed-2984024
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29840242010-12-30 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­quinolinium iodide dihydrate Fun, Hoong-Kun Chanawanno, Kullapa Kobkeatthawin, Thawanrat Chantrapromma, Suchada Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(20)NO(+)·I(−)·2H(2)O, the cation is almost planar (r.m.s. deviation = 0.038 Å) and exists in an E configuration. The dihedral angle between the quinolinium ring system and the benzene ring is 0.7 (4)°. In the crystal structure, the cations are stacked in an anti-parallel manner along [100] with π–π inter­actions between the pyridinium and ethoxy­benzene rings [centroid–centroid distance = 3.678 (5) Å]. The cations, iodide anions and water mol­ecules are linked together through O—H⋯O, O—H⋯I and C—H⋯I hydrogen bonds into a two-dimensional network parallel to (001). International Union of Crystallography 2010-03-27 /pmc/articles/PMC2984024/ /pubmed/21580746 http://dx.doi.org/10.1107/S1600536810010548 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
Chanawanno, Kullapa
Kobkeatthawin, Thawanrat
Chantrapromma, Suchada
2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­quinolinium iodide dihydrate
title 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­quinolinium iodide dihydrate
title_full 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­quinolinium iodide dihydrate
title_fullStr 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­quinolinium iodide dihydrate
title_full_unstemmed 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­quinolinium iodide dihydrate
title_short 2-[(E)-2-(4-Ethoxy­phen­yl)ethen­yl]-1-methyl­quinolinium iodide dihydrate
title_sort 2-[(e)-2-(4-ethoxy­phen­yl)ethen­yl]-1-methyl­quinolinium iodide dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984024/
https://www.ncbi.nlm.nih.gov/pubmed/21580746
http://dx.doi.org/10.1107/S1600536810010548
work_keys_str_mv AT funhoongkun 2e24ethoxyphenylethenyl1methylquinoliniumiodidedihydrate
AT chanawannokullapa 2e24ethoxyphenylethenyl1methylquinoliniumiodidedihydrate
AT kobkeatthawinthawanrat 2e24ethoxyphenylethenyl1methylquinoliniumiodidedihydrate
AT chantraprommasuchada 2e24ethoxyphenylethenyl1methylquinoliniumiodidedihydrate

Ejemplares similares