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

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

The asymmetric unit of the title salt, C17H19F2N2+.C15H13O2−, 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 fl...

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Main Authors: Alaloor S. Dayananda, Hemmige S. Yathirajan, Eric Hosten, Thomas Gerber, Richard Betz
Format: Article
Language:English
Published: International Union of Crystallography 2011-10-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S160053681103902X
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spelling doaj-896056d330e344d2a6b99846e9251ad52020-11-25T01:08:59ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-10-016710o2783o278410.1107/S160053681103902X4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoateAlaloor S. DayanandaHemmige S. YathirajanEric HostenThomas GerberRichard BetzThe asymmetric unit of the title salt, C17H19F2N2+.C15H13O2−, 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.http://scripts.iucr.org/cgi-bin/paper?S160053681103902X
collection DOAJ
language English
format Article
sources DOAJ
author Alaloor S. Dayananda
Hemmige S. Yathirajan
Eric Hosten
Thomas Gerber
Richard Betz
spellingShingle Alaloor S. Dayananda
Hemmige S. Yathirajan
Eric Hosten
Thomas Gerber
Richard Betz
4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate
Acta Crystallographica Section E
author_facet Alaloor S. Dayananda
Hemmige S. Yathirajan
Eric Hosten
Thomas Gerber
Richard Betz
author_sort Alaloor S. Dayananda
title 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_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_sort 4-[bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-10-01
description The asymmetric unit of the title salt, C17H19F2N2+.C15H13O2−, 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.
url http://scripts.iucr.org/cgi-bin/paper?S160053681103902X
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AT erichosten 4bis4fluorophenylmethylpiperazin1ium22phenylethylbenzoate
AT thomasgerber 4bis4fluorophenylmethylpiperazin1ium22phenylethylbenzoate
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