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Cinnarizinium 3,5-dinitrosalicylate
The title compound [systematic name: 4-diphenylmethyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carboxy-4,6-dinitrophenolate], C(26)H(29)N(2) (+)·C(7)H(3)N(2)O(7) (−), is the dinitrosalicylate salt of a tertiary amine. Deprotonation of the carboxylic acid group occurred on the phenolic hy...
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/PMC3344107/ https://www.ncbi.nlm.nih.gov/pubmed/22606110 http://dx.doi.org/10.1107/S1600536812011518 |
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author | Dayananda, Alaloor S. Yathirajan, Hemmige S. Gerber, Thomas Hosten, Eric Betz, Richard |
author_facet | Dayananda, Alaloor S. Yathirajan, Hemmige S. Gerber, Thomas Hosten, Eric Betz, Richard |
author_sort | Dayananda, Alaloor S. |
collection | PubMed |
description | The title compound [systematic name: 4-diphenylmethyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carboxy-4,6-dinitrophenolate], C(26)H(29)N(2) (+)·C(7)H(3)N(2)O(7) (−), is the dinitrosalicylate salt of a tertiary amine. Deprotonation of the carboxylic acid group occurred on the phenolic hydroxy group. The diazacyclohexane ring adopts a chair conformation. Intramolecular O—H⋯O and intermolecular C—H⋯O and N—H⋯O hydrogen bonds are observed. The N—H⋯O hydrogen bonds are bifurcated at the H atom and connect the cinnarizinium and 3,5-dinitrosalicylate ions together. Intermolecular C—H⋯O hydrogen bonds connect the components into layers perpendicular to the crystallographic a axis. |
format | Online Article Text |
id | pubmed-3344107 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33441072012-05-17 Cinnarizinium 3,5-dinitrosalicylate Dayananda, Alaloor S. Yathirajan, Hemmige S. Gerber, Thomas Hosten, Eric Betz, Richard Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound [systematic name: 4-diphenylmethyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carboxy-4,6-dinitrophenolate], C(26)H(29)N(2) (+)·C(7)H(3)N(2)O(7) (−), is the dinitrosalicylate salt of a tertiary amine. Deprotonation of the carboxylic acid group occurred on the phenolic hydroxy group. The diazacyclohexane ring adopts a chair conformation. Intramolecular O—H⋯O and intermolecular C—H⋯O and N—H⋯O hydrogen bonds are observed. The N—H⋯O hydrogen bonds are bifurcated at the H atom and connect the cinnarizinium and 3,5-dinitrosalicylate ions together. Intermolecular C—H⋯O hydrogen bonds connect the components into layers perpendicular to the crystallographic a axis. International Union of Crystallography 2012-03-24 /pmc/articles/PMC3344107/ /pubmed/22606110 http://dx.doi.org/10.1107/S1600536812011518 Text en © Dayananda et al. 2012 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 Dayananda, Alaloor S. Yathirajan, Hemmige S. Gerber, Thomas Hosten, Eric Betz, Richard Cinnarizinium 3,5-dinitrosalicylate |
title | Cinnarizinium 3,5-dinitrosalicylate |
title_full | Cinnarizinium 3,5-dinitrosalicylate |
title_fullStr | Cinnarizinium 3,5-dinitrosalicylate |
title_full_unstemmed | Cinnarizinium 3,5-dinitrosalicylate |
title_short | Cinnarizinium 3,5-dinitrosalicylate |
title_sort | cinnarizinium 3,5-dinitrosalicylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344107/ https://www.ncbi.nlm.nih.gov/pubmed/22606110 http://dx.doi.org/10.1107/S1600536812011518 |
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