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Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)

In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methyl­phen­yl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis­(2,5-dichloro-4-hy­droxy-3,6-dioxo­cyclo­hexa-1,4-dien-1-olate)–2,5-dichloro-3,6-dihy­droxy­cyclo­hexa-2,5-diene-1,4-dione–methanol–water (2/1/2/2)},...

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Autores principales: Dayananda, A. S., Butcher, Ray J., Akkurt, Mehmet, Yathirajan, H. S., Narayana, B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343999/
https://www.ncbi.nlm.nih.gov/pubmed/22589908
http://dx.doi.org/10.1107/S1600536812010136
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author Dayananda, A. S.
Butcher, Ray J.
Akkurt, Mehmet
Yathirajan, H. S.
Narayana, B.
author_facet Dayananda, A. S.
Butcher, Ray J.
Akkurt, Mehmet
Yathirajan, H. S.
Narayana, B.
author_sort Dayananda, A. S.
collection PubMed
description In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methyl­phen­yl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis­(2,5-dichloro-4-hy­droxy-3,6-dioxo­cyclo­hexa-1,4-dien-1-olate)–2,5-dichloro-3,6-dihy­droxy­cyclo­hexa-2,5-diene-1,4-dione–methanol–water (2/1/2/2)}, C(19)H(24)N(2) (2+)·2C(6)HCl(2)O(4) (−)·0.5C(6)H(2)Cl(2)O(4)·CH(3)OH·H(2)O, the N atoms on both the pyrrolidine and pyridine groups are protonated. The neutral chloranilic acid mol­ecule is on an inversion symmetry element and its hy­droxy H atoms are disordered over two positions with site-occupancy factors of 0.53 (6) and 0.47 (6). The methanol solvent mol­ecule is disordered over two positions in a 0.836 (4):0.164 (4) ratio. In the crystal, N—H⋯O, O—H⋯O and C—H⋯O inter­actions link the components. The crystal structure also features π–π inter­actions between the benzene rings [centroid–centroid distances = 3.5674 (15), 3.5225 (15) and 3.6347 (15) Å].
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spelling pubmed-33439992012-05-15 Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2) Dayananda, A. S. Butcher, Ray J. Akkurt, Mehmet Yathirajan, H. S. Narayana, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methyl­phen­yl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis­(2,5-dichloro-4-hy­droxy-3,6-dioxo­cyclo­hexa-1,4-dien-1-olate)–2,5-dichloro-3,6-dihy­droxy­cyclo­hexa-2,5-diene-1,4-dione–methanol–water (2/1/2/2)}, C(19)H(24)N(2) (2+)·2C(6)HCl(2)O(4) (−)·0.5C(6)H(2)Cl(2)O(4)·CH(3)OH·H(2)O, the N atoms on both the pyrrolidine and pyridine groups are protonated. The neutral chloranilic acid mol­ecule is on an inversion symmetry element and its hy­droxy H atoms are disordered over two positions with site-occupancy factors of 0.53 (6) and 0.47 (6). The methanol solvent mol­ecule is disordered over two positions in a 0.836 (4):0.164 (4) ratio. In the crystal, N—H⋯O, O—H⋯O and C—H⋯O inter­actions link the components. The crystal structure also features π–π inter­actions between the benzene rings [centroid–centroid distances = 3.5674 (15), 3.5225 (15) and 3.6347 (15) Å]. International Union of Crystallography 2012-03-10 /pmc/articles/PMC3343999/ /pubmed/22589908 http://dx.doi.org/10.1107/S1600536812010136 Text en © Dayananda et al. 2012 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
Dayananda, A. S.
Butcher, Ray J.
Akkurt, Mehmet
Yathirajan, H. S.
Narayana, B.
Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)
title Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)
title_full Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)
title_fullStr Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)
title_full_unstemmed Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)
title_short Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)
title_sort triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343999/
https://www.ncbi.nlm.nih.gov/pubmed/22589908
http://dx.doi.org/10.1107/S1600536812010136
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