Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



tk5213 scheme

Acta Cryst. (2013). E69, o782    [ doi:10.1107/S160053681301012X ]

An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine

S. Sreenivasa, K. E. ManojKumar, H. C. Anitha, P. A. Suchetan, B. S. Palakshamurthy, Y. Jayashree and J. Tonannavar

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 dichlorobenzene ring and the sulfonyl and piperazine rings are 2.44 (13) and 74.16 (2)°, respectively. In the crystal, molecules are connected through weak C-H...O interactions into a hexameric unit generating a R66(60) motif in the ab plane. The molecules are also connected into C(4) chains through weak C-H...N interactions. The solvent used to grow the crystal was a mixture of dichloromethane and methanol, but the resulting electron density was uninterpretable. 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.


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