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

ABSTRACT: 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-diaza-cyclo-hexane derivative and a carb-oxy-lic 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.

SUBMITTER: Betz R 

PROVIDER: S-EPMC3201291 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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

Betz Richard R   Gerber Thomas T   Hosten Eric E   Dayananda Alaloor S AS   Yathirajan Hemmige S HS  

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

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-diaza-cyclo-hexane derivative and a carb-oxy-lic 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, classica  ...[more]

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