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2-[(3,3-Di­methyl­indolin-2-yl­idene)meth­yl]-4-[(3,3-dimethyl-3H-indol-1-ium-2-yl)methyl­idene]-3-oxo­cyclo­but-1-en-1-olate chloro­form disolvate

In the title squaraine dye solvate, C(26)H(24)N(2)O(2)·2CHCl(3), the dye mol­ecule is essentially planar, except for the methyl groups, having a maximum deviation over the 26-membered delocalized bond system of 0.060 (2) Å. It possesses crystallographic twofold rotational symmetry with the indole ri...

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Detalles Bibliográficos
Autores principales: Smith, Graham, Lynch, Daniel E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648310/
https://www.ncbi.nlm.nih.gov/pubmed/23723930
http://dx.doi.org/10.1107/S1600536813010386
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author Smith, Graham
Lynch, Daniel E.
author_facet Smith, Graham
Lynch, Daniel E.
author_sort Smith, Graham
collection PubMed
description In the title squaraine dye solvate, C(26)H(24)N(2)O(2)·2CHCl(3), the dye mol­ecule is essentially planar, except for the methyl groups, having a maximum deviation over the 26-membered delocalized bond system of 0.060 (2) Å. It possesses crystallographic twofold rotational symmetry with the indole ring systems adopting a syn conformation. The mol­ecular structure features intra­molecular N—H⋯O hydrogen bonds enclosing conjoint S7 ring motifs about one of the dioxo­cyclo­butene O atoms, while the two chloro­form solvent mol­ecules are linked to the second O atom through C—H⋯O hydrogen bonds.
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spelling pubmed-36483102013-05-30 2-[(3,3-Di­methyl­indolin-2-yl­idene)meth­yl]-4-[(3,3-dimethyl-3H-indol-1-ium-2-yl)methyl­idene]-3-oxo­cyclo­but-1-en-1-olate chloro­form disolvate Smith, Graham Lynch, Daniel E. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title squaraine dye solvate, C(26)H(24)N(2)O(2)·2CHCl(3), the dye mol­ecule is essentially planar, except for the methyl groups, having a maximum deviation over the 26-membered delocalized bond system of 0.060 (2) Å. It possesses crystallographic twofold rotational symmetry with the indole ring systems adopting a syn conformation. The mol­ecular structure features intra­molecular N—H⋯O hydrogen bonds enclosing conjoint S7 ring motifs about one of the dioxo­cyclo­butene O atoms, while the two chloro­form solvent mol­ecules are linked to the second O atom through C—H⋯O hydrogen bonds. International Union of Crystallography 2013-04-27 /pmc/articles/PMC3648310/ /pubmed/23723930 http://dx.doi.org/10.1107/S1600536813010386 Text en © Smith and Lynch 2013 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
Smith, Graham
Lynch, Daniel E.
2-[(3,3-Di­methyl­indolin-2-yl­idene)meth­yl]-4-[(3,3-dimethyl-3H-indol-1-ium-2-yl)methyl­idene]-3-oxo­cyclo­but-1-en-1-olate chloro­form disolvate
title 2-[(3,3-Di­methyl­indolin-2-yl­idene)meth­yl]-4-[(3,3-dimethyl-3H-indol-1-ium-2-yl)methyl­idene]-3-oxo­cyclo­but-1-en-1-olate chloro­form disolvate
title_full 2-[(3,3-Di­methyl­indolin-2-yl­idene)meth­yl]-4-[(3,3-dimethyl-3H-indol-1-ium-2-yl)methyl­idene]-3-oxo­cyclo­but-1-en-1-olate chloro­form disolvate
title_fullStr 2-[(3,3-Di­methyl­indolin-2-yl­idene)meth­yl]-4-[(3,3-dimethyl-3H-indol-1-ium-2-yl)methyl­idene]-3-oxo­cyclo­but-1-en-1-olate chloro­form disolvate
title_full_unstemmed 2-[(3,3-Di­methyl­indolin-2-yl­idene)meth­yl]-4-[(3,3-dimethyl-3H-indol-1-ium-2-yl)methyl­idene]-3-oxo­cyclo­but-1-en-1-olate chloro­form disolvate
title_short 2-[(3,3-Di­methyl­indolin-2-yl­idene)meth­yl]-4-[(3,3-dimethyl-3H-indol-1-ium-2-yl)methyl­idene]-3-oxo­cyclo­but-1-en-1-olate chloro­form disolvate
title_sort 2-[(3,3-di­methyl­indolin-2-yl­idene)meth­yl]-4-[(3,3-dimethyl-3h-indol-1-ium-2-yl)methyl­idene]-3-oxo­cyclo­but-1-en-1-olate chloro­form disolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648310/
https://www.ncbi.nlm.nih.gov/pubmed/23723930
http://dx.doi.org/10.1107/S1600536813010386
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AT lynchdaniele 233dimethylindolin2ylidenemethyl433dimethyl3hindol1ium2ylmethylidene3oxocyclobut1en1olatechloroformdisolvate