Cargando…
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: | , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
|
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 |
_version_ | 1782268815138095104 |
---|---|
author | Sreenivasa, S. ManojKumar, K. E. Anitha, H. C. Suchetan, P. A. Palakshamurthy, B. S. Jayashree, Yenagi Tonannavar, J. |
author_facet | Sreenivasa, S. ManojKumar, K. E. Anitha, H. C. Suchetan, P. A. Palakshamurthy, B. S. Jayashree, Yenagi Tonannavar, J. |
author_sort | Sreenivasa, S. |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-3648306 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36483062013-05-30 An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine Sreenivasa, S. ManojKumar, K. E. Anitha, H. C. Suchetan, P. A. Palakshamurthy, B. S. Jayashree, Yenagi Tonannavar, J. Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2013-04-24 /pmc/articles/PMC3648306/ /pubmed/23723926 http://dx.doi.org/10.1107/S160053681301012X Text en © Sreenivasa et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Sreenivasa, S. ManojKumar, K. E. Anitha, H. C. Suchetan, P. A. Palakshamurthy, B. S. Jayashree, Yenagi Tonannavar, J. An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine |
title | An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine |
title_full | An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine |
title_fullStr | An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine |
title_full_unstemmed | An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine |
title_short | An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine |
title_sort | unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648306/ https://www.ncbi.nlm.nih.gov/pubmed/23723926 http://dx.doi.org/10.1107/S160053681301012X |
work_keys_str_mv | AT sreenivasas anunknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT manojkumarke anunknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT anithahc anunknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT suchetanpa anunknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT palakshamurthybs anunknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT jayashreeyenagi anunknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT tonannavarj anunknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT sreenivasas unknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT manojkumarke unknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT anithahc unknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT suchetanpa unknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT palakshamurthybs unknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT jayashreeyenagi unknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine AT tonannavarj unknownsolvateof124dichlorobenzyl44methylphenylsulfonylpiperazine |