1-[(4-Chloro-phen-yl)(phen-yl)meth-yl]piperazine-1,4-diium bis-(trichloro-acetate)-trichloro-acetic acid (1/1).

ABSTRACT: In the title salt adduct, C(17)H(21)ClN(2) (2+)·2C(2)Cl(3)O(2) (-)·C(2)HCl(3)O(2), the Cl atom of the dication is disordered over two positions in a 0.915 (3):0.085 (3) ratio. The Cl atoms in the trichloroacetate anions and trichloroacetic acid molecule are also disordered, with refined site-occupation factors of 0.59 (3):0.41 (3), 0.503 (12):0.417 (12) and 0.653 (12):0.347 (12). The piperazine ring adopts a chair conformation, with puckering parameters Q(T) = 0.587 (3) Å, θ = 2.6 (2) and Φ 334 (6)°. In the crystal, neighbouring mol-ecules are linked by N-H⋯O, O-H⋯O, N-H⋯Cl, C-H⋯O and C-H⋯Cl hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Song Y 

PROVIDER: S-EPMC3435716 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature