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Flunarizinium isonicotinate
In the cation of the title salt {systematic name: 4-[bis(4-fluorophenyl)methyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxylate}, C(26)H(27)F(2)N(2) (+)·C(6)H(4)NO(2) (−), the piperazine ring is in a slightly distorted chair conformation. The dihedral angle between the me...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051108/ https://www.ncbi.nlm.nih.gov/pubmed/24940261 http://dx.doi.org/10.1107/S1600536814010423 |
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author | Kavitha, Channappa N. Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. |
author_facet | Kavitha, Channappa N. Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. |
author_sort | Kavitha, Channappa N. |
collection | PubMed |
description | In the cation of the title salt {systematic name: 4-[bis(4-fluorophenyl)methyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxylate}, C(26)H(27)F(2)N(2) (+)·C(6)H(4)NO(2) (−), the piperazine ring is in a slightly distorted chair conformation. The dihedral angle between the mean planes of the fluoro-substituted benzene rings is 81.9 (1)° and these benzene rings form dihedral angles of 6.5 (1) and 87.8 (1)° with the phenyl ring. In the crystal, a single N—H⋯O hydrogen bond links the cation and the anion. In addition, weak C—H⋯O hydrogen bonds and π–π stacking interactions involving one of the fluoro-substituted benzene rings and the phenyl ring, with a centroid–centroid distance of 3.700 (7) Å, link molecules along [100]. |
format | Online Article Text |
id | pubmed-4051108 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-40511082014-06-17 Flunarizinium isonicotinate Kavitha, Channappa N. Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the cation of the title salt {systematic name: 4-[bis(4-fluorophenyl)methyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxylate}, C(26)H(27)F(2)N(2) (+)·C(6)H(4)NO(2) (−), the piperazine ring is in a slightly distorted chair conformation. The dihedral angle between the mean planes of the fluoro-substituted benzene rings is 81.9 (1)° and these benzene rings form dihedral angles of 6.5 (1) and 87.8 (1)° with the phenyl ring. In the crystal, a single N—H⋯O hydrogen bond links the cation and the anion. In addition, weak C—H⋯O hydrogen bonds and π–π stacking interactions involving one of the fluoro-substituted benzene rings and the phenyl ring, with a centroid–centroid distance of 3.700 (7) Å, link molecules along [100]. International Union of Crystallography 2014-05-17 /pmc/articles/PMC4051108/ /pubmed/24940261 http://dx.doi.org/10.1107/S1600536814010423 Text en © Kavitha 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 Kavitha, Channappa N. Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. Flunarizinium isonicotinate |
title | Flunarizinium isonicotinate |
title_full | Flunarizinium isonicotinate |
title_fullStr | Flunarizinium isonicotinate |
title_full_unstemmed | Flunarizinium isonicotinate |
title_short | Flunarizinium isonicotinate |
title_sort | flunarizinium isonicotinate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051108/ https://www.ncbi.nlm.nih.gov/pubmed/24940261 http://dx.doi.org/10.1107/S1600536814010423 |
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