1-(2-Hy­droxy­eth­yl)-4-[3-(2-trifluoro­methyl-9H-thioxanthen-9-yl­idene)prop­yl]piperazine-1,4-diium dichloride: the dihydro­chloride salt of flupentixol

In the title compound, C(23)H(27)F(3)N(2)OS(+)·2Cl(−), the piperazinediium ring adopts a chair conformation. The dihedral angle between the two outer aromatic rings of the 9H-thioxanthene unit is 40.35 (18)°. The F atoms in the trifluoro­methyl group are disordered over two sets of sites with occupa...

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Autores principales: Siddegowda, M. S., Butcher, Ray J., Akkurt, Mehmet, Yathirajan, H. S., Narayana, B.
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/PMC3213522/
https://www.ncbi.nlm.nih.gov/pubmed/22091101
http://dx.doi.org/10.1107/S1600536811028182
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author Siddegowda, M. S.
Butcher, Ray J.
Akkurt, Mehmet
Yathirajan, H. S.
Narayana, B.
author_facet Siddegowda, M. S.
Butcher, Ray J.
Akkurt, Mehmet
Yathirajan, H. S.
Narayana, B.
author_sort Siddegowda, M. S.
collection PubMed
description In the title compound, C(23)H(27)F(3)N(2)OS(+)·2Cl(−), the piperazinediium ring adopts a chair conformation. The dihedral angle between the two outer aromatic rings of the 9H-thioxanthene unit is 40.35 (18)°. The F atoms in the trifluoro­methyl group are disordered over two sets of sites with occupancies of 0.803 (6) and 0.197 (6). In the crystal, mol­ecules are connected by N—H⋯Cl, O—H⋯Cl C—H⋯O and C—H⋯Cl hydrogen bonds, forming chains propagating along [001]. There are also C—H⋯π inter­actions present in the crystal structure.
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spelling pubmed-32135222011-11-16 1-(2-Hy­droxy­eth­yl)-4-[3-(2-trifluoro­methyl-9H-thioxanthen-9-yl­idene)prop­yl]piperazine-1,4-diium dichloride: the dihydro­chloride salt of flupentixol Siddegowda, M. S. Butcher, Ray J. Akkurt, Mehmet Yathirajan, H. S. Narayana, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(23)H(27)F(3)N(2)OS(+)·2Cl(−), the piperazinediium ring adopts a chair conformation. The dihedral angle between the two outer aromatic rings of the 9H-thioxanthene unit is 40.35 (18)°. The F atoms in the trifluoro­methyl group are disordered over two sets of sites with occupancies of 0.803 (6) and 0.197 (6). In the crystal, mol­ecules are connected by N—H⋯Cl, O—H⋯Cl C—H⋯O and C—H⋯Cl hydrogen bonds, forming chains propagating along [001]. There are also C—H⋯π inter­actions present in the crystal structure. International Union of Crystallography 2011-07-23 /pmc/articles/PMC3213522/ /pubmed/22091101 http://dx.doi.org/10.1107/S1600536811028182 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.
Narayana, B.
1-(2-Hy­droxy­eth­yl)-4-[3-(2-trifluoro­methyl-9H-thioxanthen-9-yl­idene)prop­yl]piperazine-1,4-diium dichloride: the dihydro­chloride salt of flupentixol
title 1-(2-Hy­droxy­eth­yl)-4-[3-(2-trifluoro­methyl-9H-thioxanthen-9-yl­idene)prop­yl]piperazine-1,4-diium dichloride: the dihydro­chloride salt of flupentixol
title_full 1-(2-Hy­droxy­eth­yl)-4-[3-(2-trifluoro­methyl-9H-thioxanthen-9-yl­idene)prop­yl]piperazine-1,4-diium dichloride: the dihydro­chloride salt of flupentixol
title_fullStr 1-(2-Hy­droxy­eth­yl)-4-[3-(2-trifluoro­methyl-9H-thioxanthen-9-yl­idene)prop­yl]piperazine-1,4-diium dichloride: the dihydro­chloride salt of flupentixol
title_full_unstemmed 1-(2-Hy­droxy­eth­yl)-4-[3-(2-trifluoro­methyl-9H-thioxanthen-9-yl­idene)prop­yl]piperazine-1,4-diium dichloride: the dihydro­chloride salt of flupentixol
title_short 1-(2-Hy­droxy­eth­yl)-4-[3-(2-trifluoro­methyl-9H-thioxanthen-9-yl­idene)prop­yl]piperazine-1,4-diium dichloride: the dihydro­chloride salt of flupentixol
title_sort 1-(2-hy­droxy­eth­yl)-4-[3-(2-trifluoro­methyl-9h-thioxanthen-9-yl­idene)prop­yl]piperazine-1,4-diium dichloride: the dihydro­chloride salt of flupentixol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213522/
https://www.ncbi.nlm.nih.gov/pubmed/22091101
http://dx.doi.org/10.1107/S1600536811028182
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