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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3648310 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT smithgraham 233dimethylindolin2ylidenemethyl433dimethyl3hindol1ium2ylmethylidene3oxocyclobut1en1olatechloroformdisolvate AT lynchdaniele 233dimethylindolin2ylidenemethyl433dimethyl3hindol1ium2ylmethylidene3oxocyclobut1en1olatechloroformdisolvate |