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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3588249 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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