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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...

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Autores principales: Sreenivasa, S., ManojKumar, K. E., Anitha, H. C., Suchetan, P. A., Palakshamurthy, B. S., Jayashree, Yenagi, Tonannavar, J.
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
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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.
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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
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