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4-(4-Methyl­phenyl­sulfon­yl)piperazin-1-ium tri­fluoro­acetate

In the title salt, C(11)H(17)N(2)O(2)S(+)·CF(3)COO(−), the cation is protonated at the secondary piperazine N atom. The dihedral angle between the benzene ring and the piperazine mean plane is 85.54 (10)°. In the crystal, cations and anions are connected by two types of strong N—H⋯O hydrogen bonds i...

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Autores principales: Sreenivasa, S., Mohan, N. R., Madhu Chakrapani Rao, T., Suchetan, P. A., Palakshamurthy, B. S., Vijithkumar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770385/
https://www.ncbi.nlm.nih.gov/pubmed/24046670
http://dx.doi.org/10.1107/S1600536813015900
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author Sreenivasa, S.
Mohan, N. R.
Madhu Chakrapani Rao, T.
Suchetan, P. A.
Palakshamurthy, B. S.
Vijithkumar,
author_facet Sreenivasa, S.
Mohan, N. R.
Madhu Chakrapani Rao, T.
Suchetan, P. A.
Palakshamurthy, B. S.
Vijithkumar,
author_sort Sreenivasa, S.
collection PubMed
description In the title salt, C(11)H(17)N(2)O(2)S(+)·CF(3)COO(−), the cation is protonated at the secondary piperazine N atom. The dihedral angle between the benzene ring and the piperazine mean plane is 85.54 (10)°. In the crystal, cations and anions are connected by two types of strong N—H⋯O hydrogen bonds into chains extending along [101]. The chains are further assembled into (10-1) layers via stacking inter­actions between benzene rings of the cations [centroid–centroid distance = 3.7319 (13) Å] and a C—H⋯O inter­action involving a piperazine C—H group and a sulfonyl O atom. Another C—H⋯O inter­action between the piperazine ring and the sulfonyl group connects the ions into a three-dimensional network.
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spelling pubmed-37703852013-09-17 4-(4-Methyl­phenyl­sulfon­yl)piperazin-1-ium tri­fluoro­acetate Sreenivasa, S. Mohan, N. R. Madhu Chakrapani Rao, T. Suchetan, P. A. Palakshamurthy, B. S. Vijithkumar, Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(11)H(17)N(2)O(2)S(+)·CF(3)COO(−), the cation is protonated at the secondary piperazine N atom. The dihedral angle between the benzene ring and the piperazine mean plane is 85.54 (10)°. In the crystal, cations and anions are connected by two types of strong N—H⋯O hydrogen bonds into chains extending along [101]. The chains are further assembled into (10-1) layers via stacking inter­actions between benzene rings of the cations [centroid–centroid distance = 3.7319 (13) Å] and a C—H⋯O inter­action involving a piperazine C—H group and a sulfonyl O atom. Another C—H⋯O inter­action between the piperazine ring and the sulfonyl group connects the ions into a three-dimensional network. International Union of Crystallography 2013-06-19 /pmc/articles/PMC3770385/ /pubmed/24046670 http://dx.doi.org/10.1107/S1600536813015900 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.
Mohan, N. R.
Madhu Chakrapani Rao, T.
Suchetan, P. A.
Palakshamurthy, B. S.
Vijithkumar,
4-(4-Methyl­phenyl­sulfon­yl)piperazin-1-ium tri­fluoro­acetate
title 4-(4-Methyl­phenyl­sulfon­yl)piperazin-1-ium tri­fluoro­acetate
title_full 4-(4-Methyl­phenyl­sulfon­yl)piperazin-1-ium tri­fluoro­acetate
title_fullStr 4-(4-Methyl­phenyl­sulfon­yl)piperazin-1-ium tri­fluoro­acetate
title_full_unstemmed 4-(4-Methyl­phenyl­sulfon­yl)piperazin-1-ium tri­fluoro­acetate
title_short 4-(4-Methyl­phenyl­sulfon­yl)piperazin-1-ium tri­fluoro­acetate
title_sort 4-(4-methyl­phenyl­sulfon­yl)piperazin-1-ium tri­fluoro­acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770385/
https://www.ncbi.nlm.nih.gov/pubmed/24046670
http://dx.doi.org/10.1107/S1600536813015900
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