1-[(4-Chlorophenyl)(phenyl)methyl]-piperazine-1,4-diium bis(trichloroacetate)- trichloroacetic acid (1/1)


Song Y., Kumar C. S. C. , AKKURT M. , Chandraju S., Li H.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.68, 2012 (Journal Indexed in ESCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 68
  • Publication Date: 2012
  • Doi Number: 10.1107/s1600536812034794
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS

Abstract

In the title salt adduct, C17H21ClN22+center dot 2C(2)Cl(3)O(2)(-)center dot C2HCl3O2, 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) angstrom, theta = 2.6 (2) and Phi 334 (6)degrees. In the crystal, neighbouring molecules are linked by N-H center dot center dot center dot O, O-H center dot center dot center dot O, N-H center dot center dot center dot Cl, C-H center dot center dot center dot O and C-H center dot center dot center dot Cl hydrogen bonds, forming a three-dimensional network.