4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate

The asymmetric unit of the title salt, C(17)H(19)F(2)N(2) (+.)C(15)H(13)O(2) (−), derived from a 1,4-diaza­cyclo­hexane derivative and a carb­oxy­lic acid, contains two formula units. The cation is protonated at the secondary amine functionality. The six-membered heterocycles adopt chair conformatio...

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Autores principales: Betz, Richard, Gerber, Thomas, Hosten, Eric, Dayananda, Alaloor S., Yathirajan, Hemmige S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201291/
https://www.ncbi.nlm.nih.gov/pubmed/22064768
http://dx.doi.org/10.1107/S160053681103902X
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author Betz, Richard
Gerber, Thomas
Hosten, Eric
Dayananda, Alaloor S.
Yathirajan, Hemmige S.
author_facet Betz, Richard
Gerber, Thomas
Hosten, Eric
Dayananda, Alaloor S.
Yathirajan, Hemmige S.
author_sort Betz, Richard
collection PubMed
description The asymmetric unit of the title salt, C(17)H(19)F(2)N(2) (+.)C(15)H(13)O(2) (−), derived from a 1,4-diaza­cyclo­hexane derivative and a carb­oxy­lic acid, contains two formula units. The cation is protonated at the secondary amine functionality. The six-membered heterocycles adopt chair conformations. The fluorophenyl rings in the two cations make dihedral angles of 77.21 (19) and 78.8 (2)° while the aromatic rings in the anions enclose angles of 69.5 (2) and 69.9 (2)°. In the crystal, classical N—H⋯O hydrogen bonds as well as C—H⋯F and C—H⋯O contacts connect the entities into layers parallel to ac.
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spelling pubmed-32012912011-11-06 4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate Betz, Richard Gerber, Thomas Hosten, Eric Dayananda, Alaloor S. Yathirajan, Hemmige S. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title salt, C(17)H(19)F(2)N(2) (+.)C(15)H(13)O(2) (−), derived from a 1,4-diaza­cyclo­hexane derivative and a carb­oxy­lic acid, contains two formula units. The cation is protonated at the secondary amine functionality. The six-membered heterocycles adopt chair conformations. The fluorophenyl rings in the two cations make dihedral angles of 77.21 (19) and 78.8 (2)° while the aromatic rings in the anions enclose angles of 69.5 (2) and 69.9 (2)°. In the crystal, classical N—H⋯O hydrogen bonds as well as C—H⋯F and C—H⋯O contacts connect the entities into layers parallel to ac. International Union of Crystallography 2011-09-30 /pmc/articles/PMC3201291/ /pubmed/22064768 http://dx.doi.org/10.1107/S160053681103902X Text en © Betz et al. 2011 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
Betz, Richard
Gerber, Thomas
Hosten, Eric
Dayananda, Alaloor S.
Yathirajan, Hemmige S.
4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate
title 4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate
title_full 4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate
title_fullStr 4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate
title_full_unstemmed 4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate
title_short 4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate
title_sort 4-[bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201291/
https://www.ncbi.nlm.nih.gov/pubmed/22064768
http://dx.doi.org/10.1107/S160053681103902X
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