1-(4-Bromo­phen­yl)-2-ethyl­sulfinyl-2-(phenyl­selan­yl)ethanone monohydrate

In the title hydrate, C(16)H(15)BrO(2)SSe·H(2)O, the sulfinyl O atom lies on the opposite side of the mol­ecule to the Se and carbonyl O atoms. The benzene rings form a dihedral angle of 51.66 (17)° and are splayed with respect to each other. The observed conformation allows the water mol­ecules to...

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Autores principales: Zukerman-Schpector, Julio, De Simone, Carlos A., Olivato, Paulo R., Cerqueira, Carlos R., Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089188/
https://www.ncbi.nlm.nih.gov/pubmed/21754419
http://dx.doi.org/10.1107/S1600536811012712
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author Zukerman-Schpector, Julio
De Simone, Carlos A.
Olivato, Paulo R.
Cerqueira, Carlos R.
Tiekink, Edward R. T.
author_facet Zukerman-Schpector, Julio
De Simone, Carlos A.
Olivato, Paulo R.
Cerqueira, Carlos R.
Tiekink, Edward R. T.
author_sort Zukerman-Schpector, Julio
collection PubMed
description In the title hydrate, C(16)H(15)BrO(2)SSe·H(2)O, the sulfinyl O atom lies on the opposite side of the mol­ecule to the Se and carbonyl O atoms. The benzene rings form a dihedral angle of 51.66 (17)° and are splayed with respect to each other. The observed conformation allows the water mol­ecules to bridge sulfinyl O atoms via O—H⋯O hydrogen bonds, generating a linear supra­molecular chain along the b axis; the chain is further stabilized by C—H⋯O contacts. The chains are held in place in the crystal structure by C⋯H⋯π and C—Br⋯π inter­actions.
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spelling pubmed-30891882011-07-13 1-(4-Bromo­phen­yl)-2-ethyl­sulfinyl-2-(phenyl­selan­yl)ethanone monohydrate Zukerman-Schpector, Julio De Simone, Carlos A. Olivato, Paulo R. Cerqueira, Carlos R. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrate, C(16)H(15)BrO(2)SSe·H(2)O, the sulfinyl O atom lies on the opposite side of the mol­ecule to the Se and carbonyl O atoms. The benzene rings form a dihedral angle of 51.66 (17)° and are splayed with respect to each other. The observed conformation allows the water mol­ecules to bridge sulfinyl O atoms via O—H⋯O hydrogen bonds, generating a linear supra­molecular chain along the b axis; the chain is further stabilized by C—H⋯O contacts. The chains are held in place in the crystal structure by C⋯H⋯π and C—Br⋯π inter­actions. International Union of Crystallography 2011-04-13 /pmc/articles/PMC3089188/ /pubmed/21754419 http://dx.doi.org/10.1107/S1600536811012712 Text en © Zukerman-Schpector et al. 2011 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
Zukerman-Schpector, Julio
De Simone, Carlos A.
Olivato, Paulo R.
Cerqueira, Carlos R.
Tiekink, Edward R. T.
1-(4-Bromo­phen­yl)-2-ethyl­sulfinyl-2-(phenyl­selan­yl)ethanone monohydrate
title 1-(4-Bromo­phen­yl)-2-ethyl­sulfinyl-2-(phenyl­selan­yl)ethanone monohydrate
title_full 1-(4-Bromo­phen­yl)-2-ethyl­sulfinyl-2-(phenyl­selan­yl)ethanone monohydrate
title_fullStr 1-(4-Bromo­phen­yl)-2-ethyl­sulfinyl-2-(phenyl­selan­yl)ethanone monohydrate
title_full_unstemmed 1-(4-Bromo­phen­yl)-2-ethyl­sulfinyl-2-(phenyl­selan­yl)ethanone monohydrate
title_short 1-(4-Bromo­phen­yl)-2-ethyl­sulfinyl-2-(phenyl­selan­yl)ethanone monohydrate
title_sort 1-(4-bromo­phen­yl)-2-ethyl­sulfinyl-2-(phenyl­selan­yl)ethanone monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089188/
https://www.ncbi.nlm.nih.gov/pubmed/21754419
http://dx.doi.org/10.1107/S1600536811012712
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