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...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-10-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053681103902X |
| _version_ | 1798019019889967104 |
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| author | Alaloor S. Dayananda Hemmige S. Yathirajan Eric Hosten Thomas Gerber Richard Betz |
| author_facet | Alaloor S. Dayananda Hemmige S. Yathirajan Eric Hosten Thomas Gerber Richard Betz |
| author_sort | Alaloor S. Dayananda |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-04-11T16:33:54Z |
| format | Article |
| id | doaj.art-896056d330e344d2a6b99846e9251ad5 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:33:54Z |
| publishDate | 2011-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-896056d330e344d2a6b99846e9251ad52022-12-22T04:13:55ZengInternational 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 |
| 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 |
| 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 |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053681103902X |
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