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, ? = 2.6?(2) and ? 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