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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...

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Autores principales: Kavitha, Channappa N., Kaur, Manpreet, Jasinski, Jerry P., Yathirajan, H. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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].
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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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