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Flupentixol tartrate

In the title salt, C(23)H(26)F(3)N(2)OS(+)·C(4)H(5)O(6) (−) [systematic name: 1-(2-hy­droxy­eth­yl)-4-[3-(2-(tri­fluoro­meth­yl)thioxanthen-9-yl­idene)prop­yl]piperazin-1-ium 3-carb­oxy-2,3-di­hydroxy­pro­pion­ate], the monoprotonated piperazine ring in the cation adopts a chair conformation, while...

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Autores principales: Yamuna, Thammarse S., Kaur, Manpreet, Anderson, Brian J., Jasinski, Jerry P., Yathirajan, H.S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998353/
https://www.ncbi.nlm.nih.gov/pubmed/24764914
http://dx.doi.org/10.1107/S1600536814001536
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author Yamuna, Thammarse S.
Kaur, Manpreet
Anderson, Brian J.
Jasinski, Jerry P.
Yathirajan, H.S.
author_facet Yamuna, Thammarse S.
Kaur, Manpreet
Anderson, Brian J.
Jasinski, Jerry P.
Yathirajan, H.S.
author_sort Yamuna, Thammarse S.
collection PubMed
description In the title salt, C(23)H(26)F(3)N(2)OS(+)·C(4)H(5)O(6) (−) [systematic name: 1-(2-hy­droxy­eth­yl)-4-[3-(2-(tri­fluoro­meth­yl)thioxanthen-9-yl­idene)prop­yl]piperazin-1-ium 3-carb­oxy-2,3-di­hydroxy­pro­pion­ate], the monoprotonated piperazine ring in the cation adopts a chair conformation, while the thio­pyran ring of the thioxanthene group has a boat conformation. The dihedral angle between the mean planes of the two outer aromatic rings of the thioxanthene groups is 31.6 (2)°. In the crystal, the cations and anions are linked via O—H⋯O, N—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds, forming chains propagating along [100]. In addition, R (2) (2)(7), R (2) (2)(11), R (2) (2)(10) and R (2) (2)(12) graph-set ring motifs involving the anions, and R (2) (2)(9) graph-set ring motifs involving both the cations and anions are observed. The three F atoms of the tri­fluoro­methyl group are disordered over two sets of sites and the individual atoms were refined with occupancy ratios of 0.54 (6):0.46 (6), 0.72 (2):0.28 (2) and 0.67 (3):0.33 (3).
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spelling pubmed-39983532014-04-24 Flupentixol tartrate Yamuna, Thammarse S. Kaur, Manpreet Anderson, Brian J. Jasinski, Jerry P. Yathirajan, H.S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(23)H(26)F(3)N(2)OS(+)·C(4)H(5)O(6) (−) [systematic name: 1-(2-hy­droxy­eth­yl)-4-[3-(2-(tri­fluoro­meth­yl)thioxanthen-9-yl­idene)prop­yl]piperazin-1-ium 3-carb­oxy-2,3-di­hydroxy­pro­pion­ate], the monoprotonated piperazine ring in the cation adopts a chair conformation, while the thio­pyran ring of the thioxanthene group has a boat conformation. The dihedral angle between the mean planes of the two outer aromatic rings of the thioxanthene groups is 31.6 (2)°. In the crystal, the cations and anions are linked via O—H⋯O, N—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds, forming chains propagating along [100]. In addition, R (2) (2)(7), R (2) (2)(11), R (2) (2)(10) and R (2) (2)(12) graph-set ring motifs involving the anions, and R (2) (2)(9) graph-set ring motifs involving both the cations and anions are observed. The three F atoms of the tri­fluoro­methyl group are disordered over two sets of sites and the individual atoms were refined with occupancy ratios of 0.54 (6):0.46 (6), 0.72 (2):0.28 (2) and 0.67 (3):0.33 (3). International Union of Crystallography 2014-01-29 /pmc/articles/PMC3998353/ /pubmed/24764914 http://dx.doi.org/10.1107/S1600536814001536 Text en © Yamuna et al. 2014 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
Yamuna, Thammarse S.
Kaur, Manpreet
Anderson, Brian J.
Jasinski, Jerry P.
Yathirajan, H.S.
Flupentixol tartrate
title Flupentixol tartrate
title_full Flupentixol tartrate
title_fullStr Flupentixol tartrate
title_full_unstemmed Flupentixol tartrate
title_short Flupentixol tartrate
title_sort flupentixol tartrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998353/
https://www.ncbi.nlm.nih.gov/pubmed/24764914
http://dx.doi.org/10.1107/S1600536814001536
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