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

S Sreenivasa,Yenagi Jayashree,H C Anitha,K E Manojkumar,J Tonannavar,B S Palakshamurthy,P A Suchetan

doi:10.1107/s160053681301012x

S Sreenivasa, Yenagi Jayashree + Show 5 more

Open Access

https://doi.org/10.1107/s160053681301012x

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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 R 6 6(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.

Highlights

In the title compound, C18H20Cl2N2O2S, the piperazine ring adopts a chair conformation
Molecules are connected through weak C—H O
The solvent contribution to the scattering was removed with the SQUEEZE routine in PLATON [Spek

Summary

Crystal data

An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine a a b. 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. Molecules are connected through weak C—H O interactions into a hexameric unit generating a R66(60) motif in the ab plane. 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). The formula mass and unitcell characteristics do not take into account the disordered solvent

Bruker APEXII diffractometer

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