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Cinnarizinium bis­(p-toluene­sulfonate) dihydrate

The asymmetric unit of the title salt [systematic name: 1-benzhydryl-4-cinnamylpiperazine-1,4-diium bis­(p-toluene­sulfonate) dihydrate], C(26)H(30)N(2) (2+)·2C(7)H(7)O(3)S(−)·2H(2)O, consists of a diprotonated cinnarizinium cation hydrogen bonded through two water mol­ecules to two independent p-to...

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Autores principales: Kavitha, C. N., Butcher, Ray J., Jasinski, Jerry P., Yathirajan, H. S., Dayananda, A. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629520/
https://www.ncbi.nlm.nih.gov/pubmed/23634038
http://dx.doi.org/10.1107/S1600536813003991
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author Kavitha, C. N.
Butcher, Ray J.
Jasinski, Jerry P.
Yathirajan, H. S.
Dayananda, A. S.
author_facet Kavitha, C. N.
Butcher, Ray J.
Jasinski, Jerry P.
Yathirajan, H. S.
Dayananda, A. S.
author_sort Kavitha, C. N.
collection PubMed
description The asymmetric unit of the title salt [systematic name: 1-benzhydryl-4-cinnamylpiperazine-1,4-diium bis­(p-toluene­sulfonate) dihydrate], C(26)H(30)N(2) (2+)·2C(7)H(7)O(3)S(−)·2H(2)O, consists of a diprotonated cinnarizinium cation hydrogen bonded through two water mol­ecules to two independent p-toluene­sulfonate anions, one which is disordered over two sets of sites in a 0.793 (3):0.207 (3) ratio. In the cation, the piperazine ring adopts a chair configuration and contains two positively charged N atoms with quarternery character. The dihedral angle between the two benzene rings in the benzhydr­yl group is 71.8 (1)°. The benzene ring flanked opposite the piperazine ring is twisted by 75.9 (9) and 8.8 (3)° from these two benzene rings. In the crystal, the [N—H⋯O(water)—H⋯O( S)](2) hydrogen-bonded asymmetric unit is connected by further O—H⋯O hydrogen bonds linking the components into chains along [100].
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spelling pubmed-36295202013-04-30 Cinnarizinium bis­(p-toluene­sulfonate) dihydrate Kavitha, C. N. Butcher, Ray J. Jasinski, Jerry P. Yathirajan, H. S. Dayananda, A. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title salt [systematic name: 1-benzhydryl-4-cinnamylpiperazine-1,4-diium bis­(p-toluene­sulfonate) dihydrate], C(26)H(30)N(2) (2+)·2C(7)H(7)O(3)S(−)·2H(2)O, consists of a diprotonated cinnarizinium cation hydrogen bonded through two water mol­ecules to two independent p-toluene­sulfonate anions, one which is disordered over two sets of sites in a 0.793 (3):0.207 (3) ratio. In the cation, the piperazine ring adopts a chair configuration and contains two positively charged N atoms with quarternery character. The dihedral angle between the two benzene rings in the benzhydr­yl group is 71.8 (1)°. The benzene ring flanked opposite the piperazine ring is twisted by 75.9 (9) and 8.8 (3)° from these two benzene rings. In the crystal, the [N—H⋯O(water)—H⋯O( S)](2) hydrogen-bonded asymmetric unit is connected by further O—H⋯O hydrogen bonds linking the components into chains along [100]. International Union of Crystallography 2013-03-06 /pmc/articles/PMC3629520/ /pubmed/23634038 http://dx.doi.org/10.1107/S1600536813003991 Text en © Kavitha et al. 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
Kavitha, C. N.
Butcher, Ray J.
Jasinski, Jerry P.
Yathirajan, H. S.
Dayananda, A. S.
Cinnarizinium bis­(p-toluene­sulfonate) dihydrate
title Cinnarizinium bis­(p-toluene­sulfonate) dihydrate
title_full Cinnarizinium bis­(p-toluene­sulfonate) dihydrate
title_fullStr Cinnarizinium bis­(p-toluene­sulfonate) dihydrate
title_full_unstemmed Cinnarizinium bis­(p-toluene­sulfonate) dihydrate
title_short Cinnarizinium bis­(p-toluene­sulfonate) dihydrate
title_sort cinnarizinium bis­(p-toluene­sulfonate) dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629520/
https://www.ncbi.nlm.nih.gov/pubmed/23634038
http://dx.doi.org/10.1107/S1600536813003991
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