1-(2-Hy­droxy­eth­yl)-4-{3-[(E)-2-(trifluoro­meth­yl)-9H-thioxanthen-9-yl­idene]prop­yl}piperazine-1,4-diium bis­(3-carb­oxy­prop-2-enoate)

In the title salt, C(23)H(27)F(3)N(2)OS(+)·2C(4)H(3)O(4) (−), a non-merohedral twin [ratio of the twin components = 0.402 (1):0.598 (1)], the –CF(3) group is disordered over two sets of sites with occupancy factors in the ratio 0.873 (2):0.127 (2). The dihedral angle between the two outer aromatic r...

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Autores principales: Siddegowda, M. S., Butcher, Ray J., Akkurt, Mehmet, Yathirajan, H. S., Ramesh, A. R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213470/
https://www.ncbi.nlm.nih.gov/pubmed/22091049
http://dx.doi.org/10.1107/S160053681102722X
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author Siddegowda, M. S.
Butcher, Ray J.
Akkurt, Mehmet
Yathirajan, H. S.
Ramesh, A. R.
author_facet Siddegowda, M. S.
Butcher, Ray J.
Akkurt, Mehmet
Yathirajan, H. S.
Ramesh, A. R.
author_sort Siddegowda, M. S.
collection PubMed
description In the title salt, C(23)H(27)F(3)N(2)OS(+)·2C(4)H(3)O(4) (−), a non-merohedral twin [ratio of the twin components = 0.402 (1):0.598 (1)], the –CF(3) group is disordered over two sets of sites with occupancy factors in the ratio 0.873 (2):0.127 (2). The dihedral angle between the two outer aromatic rings of the 9H-thioxanthene unit, whose thio­pyran ring has a screw-boat conformation, is 33.01 (9)°. The diprotonated piperazine ring adopts a chair conformation. In the crystal, inter­molecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds between neighboring mol­ecules form zigzag chains along the a axis and contribute to the stabilization of the packing.
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spelling pubmed-32134702011-11-16 1-(2-Hy­droxy­eth­yl)-4-{3-[(E)-2-(trifluoro­meth­yl)-9H-thioxanthen-9-yl­idene]prop­yl}piperazine-1,4-diium bis­(3-carb­oxy­prop-2-enoate) Siddegowda, M. S. Butcher, Ray J. Akkurt, Mehmet Yathirajan, H. S. Ramesh, A. R. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(23)H(27)F(3)N(2)OS(+)·2C(4)H(3)O(4) (−), a non-merohedral twin [ratio of the twin components = 0.402 (1):0.598 (1)], the –CF(3) group is disordered over two sets of sites with occupancy factors in the ratio 0.873 (2):0.127 (2). The dihedral angle between the two outer aromatic rings of the 9H-thioxanthene unit, whose thio­pyran ring has a screw-boat conformation, is 33.01 (9)°. The diprotonated piperazine ring adopts a chair conformation. In the crystal, inter­molecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds between neighboring mol­ecules form zigzag chains along the a axis and contribute to the stabilization of the packing. International Union of Crystallography 2011-07-13 /pmc/articles/PMC3213470/ /pubmed/22091049 http://dx.doi.org/10.1107/S160053681102722X Text en © Siddegowda et al. 2011 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
Siddegowda, M. S.
Butcher, Ray J.
Akkurt, Mehmet
Yathirajan, H. S.
Ramesh, A. R.
1-(2-Hy­droxy­eth­yl)-4-{3-[(E)-2-(trifluoro­meth­yl)-9H-thioxanthen-9-yl­idene]prop­yl}piperazine-1,4-diium bis­(3-carb­oxy­prop-2-enoate)
title 1-(2-Hy­droxy­eth­yl)-4-{3-[(E)-2-(trifluoro­meth­yl)-9H-thioxanthen-9-yl­idene]prop­yl}piperazine-1,4-diium bis­(3-carb­oxy­prop-2-enoate)
title_full 1-(2-Hy­droxy­eth­yl)-4-{3-[(E)-2-(trifluoro­meth­yl)-9H-thioxanthen-9-yl­idene]prop­yl}piperazine-1,4-diium bis­(3-carb­oxy­prop-2-enoate)
title_fullStr 1-(2-Hy­droxy­eth­yl)-4-{3-[(E)-2-(trifluoro­meth­yl)-9H-thioxanthen-9-yl­idene]prop­yl}piperazine-1,4-diium bis­(3-carb­oxy­prop-2-enoate)
title_full_unstemmed 1-(2-Hy­droxy­eth­yl)-4-{3-[(E)-2-(trifluoro­meth­yl)-9H-thioxanthen-9-yl­idene]prop­yl}piperazine-1,4-diium bis­(3-carb­oxy­prop-2-enoate)
title_short 1-(2-Hy­droxy­eth­yl)-4-{3-[(E)-2-(trifluoro­meth­yl)-9H-thioxanthen-9-yl­idene]prop­yl}piperazine-1,4-diium bis­(3-carb­oxy­prop-2-enoate)
title_sort 1-(2-hy­droxy­eth­yl)-4-{3-[(e)-2-(trifluoro­meth­yl)-9h-thioxanthen-9-yl­idene]prop­yl}piperazine-1,4-diium bis­(3-carb­oxy­prop-2-enoate)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213470/
https://www.ncbi.nlm.nih.gov/pubmed/22091049
http://dx.doi.org/10.1107/S160053681102722X
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AT yathirajanhs 12hydroxyethyl43e2trifluoromethyl9hthioxanthen9ylidenepropylpiperazine14diiumbis3carboxyprop2enoate
AT rameshar 12hydroxyethyl43e2trifluoromethyl9hthioxanthen9ylidenepropylpiperazine14diiumbis3carboxyprop2enoate

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