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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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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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 |
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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 |
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