Cargando…

1,1′-Dimethyl-4,4′-(2,4-di-1-naphthyl­cyclo­butane-1,3-di­yl)dipyridinium–(E)-1-methyl-4-[2-(1-naphth­yl)vin­yl]pyridinium–4-amino­benzene­sulfonate–water (0.25/1.50/2/2)

In the title compound, 1.5C(18)H(16)N(+)·0.25C(36)H(32)N(2) (2+)·2C(6)H(6)NO(3)S(−)·2H(2)O, the monocation exists in the E configuration with respect to the ethenyl C=C double bond and is almost planar, the dihedral angles between the pyridinium and the fused six-membered rings being 3.1 (7) and 3.8...

Descripción completa

Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Chanawanno, Kullapa, Chantrapromma, Suchada
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977246/
https://www.ncbi.nlm.nih.gov/pubmed/21583711
http://dx.doi.org/10.1107/S1600536809029730
_version_ 1782191062199042048
author Fun, Hoong-Kun
Chanawanno, Kullapa
Chantrapromma, Suchada
author_facet Fun, Hoong-Kun
Chanawanno, Kullapa
Chantrapromma, Suchada
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, 1.5C(18)H(16)N(+)·0.25C(36)H(32)N(2) (2+)·2C(6)H(6)NO(3)S(−)·2H(2)O, the monocation exists in the E configuration with respect to the ethenyl C=C double bond and is almost planar, the dihedral angles between the pyridinium and the fused six-membered rings being 3.1 (7) and 3.8 (8)°. The dication lies about an inversion centre. In the crystal, the dication occupies almost the same site occupied by monocations at (x, y, z) and (−x, 1 − y, 1 − z). The anions and water mol­ecules are linked into a chain along the a axis by O—H⋯O and N—H⋯O hydrogen bonds. The structure is further stabilized by C—H⋯O hydrogen bonds and π–π inter­actions between pyridinium and benzene rings, with centroid–centroid distances in the range 3.516 (9)–3.553 (8) Å. The crystal is a twin with twin law, TWIN [Image: see text] 0 0 0 [Image: see text] 0 1 0 1. The monocation and dication are disordered with fractional site occupancy ratio of 0.75:0.25.
format Text
id pubmed-2977246
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29772462010-12-30 1,1′-Dimethyl-4,4′-(2,4-di-1-naphthyl­cyclo­butane-1,3-di­yl)dipyridinium–(E)-1-methyl-4-[2-(1-naphth­yl)vin­yl]pyridinium–4-amino­benzene­sulfonate–water (0.25/1.50/2/2) Fun, Hoong-Kun Chanawanno, Kullapa Chantrapromma, Suchada Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, 1.5C(18)H(16)N(+)·0.25C(36)H(32)N(2) (2+)·2C(6)H(6)NO(3)S(−)·2H(2)O, the monocation exists in the E configuration with respect to the ethenyl C=C double bond and is almost planar, the dihedral angles between the pyridinium and the fused six-membered rings being 3.1 (7) and 3.8 (8)°. The dication lies about an inversion centre. In the crystal, the dication occupies almost the same site occupied by monocations at (x, y, z) and (−x, 1 − y, 1 − z). The anions and water mol­ecules are linked into a chain along the a axis by O—H⋯O and N—H⋯O hydrogen bonds. The structure is further stabilized by C—H⋯O hydrogen bonds and π–π inter­actions between pyridinium and benzene rings, with centroid–centroid distances in the range 3.516 (9)–3.553 (8) Å. The crystal is a twin with twin law, TWIN [Image: see text] 0 0 0 [Image: see text] 0 1 0 1. The monocation and dication are disordered with fractional site occupancy ratio of 0.75:0.25. International Union of Crystallography 2009-07-31 /pmc/articles/PMC2977246/ /pubmed/21583711 http://dx.doi.org/10.1107/S1600536809029730 Text en © Fun et al. 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
Fun, Hoong-Kun
Chanawanno, Kullapa
Chantrapromma, Suchada
1,1′-Dimethyl-4,4′-(2,4-di-1-naphthyl­cyclo­butane-1,3-di­yl)dipyridinium–(E)-1-methyl-4-[2-(1-naphth­yl)vin­yl]pyridinium–4-amino­benzene­sulfonate–water (0.25/1.50/2/2)
title 1,1′-Dimethyl-4,4′-(2,4-di-1-naphthyl­cyclo­butane-1,3-di­yl)dipyridinium–(E)-1-methyl-4-[2-(1-naphth­yl)vin­yl]pyridinium–4-amino­benzene­sulfonate–water (0.25/1.50/2/2)
title_full 1,1′-Dimethyl-4,4′-(2,4-di-1-naphthyl­cyclo­butane-1,3-di­yl)dipyridinium–(E)-1-methyl-4-[2-(1-naphth­yl)vin­yl]pyridinium–4-amino­benzene­sulfonate–water (0.25/1.50/2/2)
title_fullStr 1,1′-Dimethyl-4,4′-(2,4-di-1-naphthyl­cyclo­butane-1,3-di­yl)dipyridinium–(E)-1-methyl-4-[2-(1-naphth­yl)vin­yl]pyridinium–4-amino­benzene­sulfonate–water (0.25/1.50/2/2)
title_full_unstemmed 1,1′-Dimethyl-4,4′-(2,4-di-1-naphthyl­cyclo­butane-1,3-di­yl)dipyridinium–(E)-1-methyl-4-[2-(1-naphth­yl)vin­yl]pyridinium–4-amino­benzene­sulfonate–water (0.25/1.50/2/2)
title_short 1,1′-Dimethyl-4,4′-(2,4-di-1-naphthyl­cyclo­butane-1,3-di­yl)dipyridinium–(E)-1-methyl-4-[2-(1-naphth­yl)vin­yl]pyridinium–4-amino­benzene­sulfonate–water (0.25/1.50/2/2)
title_sort 1,1′-dimethyl-4,4′-(2,4-di-1-naphthyl­cyclo­butane-1,3-di­yl)dipyridinium–(e)-1-methyl-4-[2-(1-naphth­yl)vin­yl]pyridinium–4-amino­benzene­sulfonate–water (0.25/1.50/2/2)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977246/
https://www.ncbi.nlm.nih.gov/pubmed/21583711
http://dx.doi.org/10.1107/S1600536809029730
work_keys_str_mv AT funhoongkun 11dimethyl4424di1naphthylcyclobutane13diyldipyridiniume1methyl421naphthylvinylpyridinium4aminobenzenesulfonatewater02515022
AT chanawannokullapa 11dimethyl4424di1naphthylcyclobutane13diyldipyridiniume1methyl421naphthylvinylpyridinium4aminobenzenesulfonatewater02515022
AT chantraprommasuchada 11dimethyl4424di1naphthylcyclobutane13diyldipyridiniume1methyl421naphthylvinylpyridinium4aminobenzenesulfonatewater02515022