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Cinnarizinium fumarate

In the title salt {systematic name: 4-diphenyl­methyl-1-[(E)-3-phenyl­prop-2-en-1-yl]piperazin-1-ium (2Z)-3-carb­oxy­prop-2-enoate}, C(26)H(29)N(2) (+)·C(4)H(3)O(4) (−), the piperazine ring in the cation adopts a distorted chair conformation and contains a positively charged N atom with quaternary c...

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Autores principales: Kavitha, C. N., Yildirim, Sema Ōztūrk, Jasinski, Jerry P., Yathirajan, H. S., Butcher, Ray J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588249/
https://www.ncbi.nlm.nih.gov/pubmed/23476398
http://dx.doi.org/10.1107/S1600536812051239
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author Kavitha, C. N.
Yildirim, Sema Ōztūrk
Jasinski, Jerry P.
Yathirajan, H. S.
Butcher, Ray J.
author_facet Kavitha, C. N.
Yildirim, Sema Ōztūrk
Jasinski, Jerry P.
Yathirajan, H. S.
Butcher, Ray J.
author_sort Kavitha, C. N.
collection PubMed
description In the title salt {systematic name: 4-diphenyl­methyl-1-[(E)-3-phenyl­prop-2-en-1-yl]piperazin-1-ium (2Z)-3-carb­oxy­prop-2-enoate}, C(26)H(29)N(2) (+)·C(4)H(3)O(4) (−), the piperazine ring in the cation adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. The dihedral angle between the mean planes of the phenyl rings of the diphenyl­methyl group is 74.2 (7)° and those between these rings and the phenyl ring of the 3-phenyl­prop-2-en-1-yl group are 12.7 (9) and 80.6 (8)°. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds form chains along [001]. Weak C—H⋯O inter­actions connect parallel chains along [010], forming layers perpendicular to the a-axis direction.
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spelling pubmed-35882492013-03-08 Cinnarizinium fumarate Kavitha, C. N. Yildirim, Sema Ōztūrk Jasinski, Jerry P. Yathirajan, H. S. Butcher, Ray J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt {systematic name: 4-diphenyl­methyl-1-[(E)-3-phenyl­prop-2-en-1-yl]piperazin-1-ium (2Z)-3-carb­oxy­prop-2-enoate}, C(26)H(29)N(2) (+)·C(4)H(3)O(4) (−), the piperazine ring in the cation adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. The dihedral angle between the mean planes of the phenyl rings of the diphenyl­methyl group is 74.2 (7)° and those between these rings and the phenyl ring of the 3-phenyl­prop-2-en-1-yl group are 12.7 (9) and 80.6 (8)°. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds form chains along [001]. Weak C—H⋯O inter­actions connect parallel chains along [010], forming layers perpendicular to the a-axis direction. International Union of Crystallography 2012-12-22 /pmc/articles/PMC3588249/ /pubmed/23476398 http://dx.doi.org/10.1107/S1600536812051239 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.
Yildirim, Sema Ōztūrk
Jasinski, Jerry P.
Yathirajan, H. S.
Butcher, Ray J.
Cinnarizinium fumarate
title Cinnarizinium fumarate
title_full Cinnarizinium fumarate
title_fullStr Cinnarizinium fumarate
title_full_unstemmed Cinnarizinium fumarate
title_short Cinnarizinium fumarate
title_sort cinnarizinium fumarate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588249/
https://www.ncbi.nlm.nih.gov/pubmed/23476398
http://dx.doi.org/10.1107/S1600536812051239
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