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An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
In the title compound, C(18)H(20)Cl(2)N(2)O(2)S, 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 sulf...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648306/ https://www.ncbi.nlm.nih.gov/pubmed/23723926 http://dx.doi.org/10.1107/S160053681301012X |
Sumario: | In the title compound, C(18)H(20)Cl(2)N(2)O(2)S, 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. |
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