An unknown solvate of 1-(2,4-di-chloro-benz-yl)-4-[(4-methyl-phen-yl)sulfon-yl]piperazine.

ABSTRACT: In the title compound, C18H20Cl2N2O2S, the piperazine ring adopts a chair conformation. The dihedral angle between the sulfonyl-bound benzene ring and the best-fit plane through the six non-H atoms of the piperazine ring is 72.22?(12)°; those between the di-chloro-benzene ring and the sulfonyl and piperazine rings are 2.44?(13) and 74.16?(2)°, respectively. In the crystal, mol-ecules are connected through weak C-H?O inter-actions into a hexa-meric unit generating a R 6 (6)(60) motif in the ab plane. The mol-ecules are also connected into C(4) chains through weak C-H?N inter-actions. The solvent used to grow the crystal was a mixture of di-chloro-methane and methanol, but the resulting electron density was uninter-pretable. The solvent contribution to the scattering was removed with the SQUEEZE routine in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]. The formula mass and unit-cell characteristics do not take into account the disordered solvent.

SUBMITTER: Sreenivasa S 

PROVIDER: S-EPMC3648306 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature