(R)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone

Detalhes bibliográficos
Autor(a) principal: Caracelli, Ignez
Data de Publicação: 2011
Outros Autores: Coelho, Daniel C. S., Olivato, Paulo R., Correra, Thiago C., Rodrigues, Alessandro [UNIFESP], Tiekink, Edward R. T.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UNIFESP
Texto Completo: http://dx.doi.org/10.1107/S160053681103858X
http://repositorio.unifesp.br/handle/11600/34074
Resumo: The central 1,3-oxazolidine-2-thione ring in the title compound, C17H15NO3S, is approximately planar with maximum deviations of 0.036 (4) and -0.041 (5) angstrom for the O and methylene-C atoms, respectively. the dihedral angles formed between this plane and the two benzene rings, which lie to the same side of the central plane, are 86.5 (2) [ring-bound benzene] and 50.6 (3)degrees. the ethan-1-one residue is also twisted out of the central plane, forming a O-C-N-C torsion angle of 151.5 (5)degrees. the dihedral angle formed by the benzene rings is 62.8 (2)degrees so that overall, the molecule has a twisted U-shape. in the crystal, molecules are linked into supramolecular arrays two molecules thick in the bc plane through C-H center dot center dot center dot O, C-H center dot center dot center dot S and C-H center dot center dot center dot pi interactions.
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spelling (R)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanoneThe central 1,3-oxazolidine-2-thione ring in the title compound, C17H15NO3S, is approximately planar with maximum deviations of 0.036 (4) and -0.041 (5) angstrom for the O and methylene-C atoms, respectively. the dihedral angles formed between this plane and the two benzene rings, which lie to the same side of the central plane, are 86.5 (2) [ring-bound benzene] and 50.6 (3)degrees. the ethan-1-one residue is also twisted out of the central plane, forming a O-C-N-C torsion angle of 151.5 (5)degrees. the dihedral angle formed by the benzene rings is 62.8 (2)degrees so that overall, the molecule has a twisted U-shape. in the crystal, molecules are linked into supramolecular arrays two molecules thick in the bc plane through C-H center dot center dot center dot O, C-H center dot center dot center dot S and C-H center dot center dot center dot pi interactions.Univ Fed Sao Carlos, BioMat Dept Fis, BR-13565905 Sao Carlos, SP, BrazilUniv Fed Sao Carlos, Lab Cristalog Estereodinam & Modelagem Mol, Dept Quim, BR-13565905 Sao Carlos, SP, BrazilUniv São Paulo, Inst Chem, BR-05508000 São Paulo, BrazilUniversidade Federal de São Paulo, UNIFESP, Dept Ciencias Exatas & Terra, Diadema, BrazilUniv Malaya, Dept Chem, Kuala Lumpur 50603, MalaysiaUniversidade Federal de São Paulo, UNIFESP, Dept Ciencias Exatas & Terra, Diadema, BrazilWeb of ScienceFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)CAPES: 808/2009Wiley-BlackwellUniversidade Federal de São Carlos (UFSCar)Universidade de São Paulo (USP)Universidade Federal de São Paulo (UNIFESP)Univ MalayaCaracelli, IgnezCoelho, Daniel C. S.Olivato, Paulo R.Correra, Thiago C.Rodrigues, Alessandro [UNIFESP]Tiekink, Edward R. T.2016-01-24T14:17:14Z2016-01-24T14:17:14Z2011-10-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionO2755-+application/pdfhttp://dx.doi.org/10.1107/S160053681103858XActa Crystallographica Section E-structure Reports Online. Hoboken: Wiley-Blackwell, v. 67, p. O2755-+, 2011.10.1107/S160053681103858XWOS000295615400123.pdf1600-5368http://repositorio.unifesp.br/handle/11600/34074WOS:000295615400123engActa Crystallographica Section E-structure Reports Onlineinfo:eu-repo/semantics/openAccesshttp://olabout.wiley.com/WileyCDA/Section/id-406071.htmlreponame:Repositório Institucional da UNIFESPinstname:Universidade Federal de São Paulo (UNIFESP)instacron:UNIFESP2024-07-31T21:22:44Zoai:repositorio.unifesp.br/:11600/34074Repositório InstitucionalPUBhttp://www.repositorio.unifesp.br/oai/requestbiblioteca.csp@unifesp.bropendoar:34652024-07-31T21:22:44Repositório Institucional da UNIFESP - Universidade Federal de São Paulo (UNIFESP)false
dc.title.none.fl_str_mv (R)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone
title (R)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone
spellingShingle (R)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone
Caracelli, Ignez
title_short (R)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone
title_full (R)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone
title_fullStr (R)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone
title_full_unstemmed (R)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone
title_sort (R)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone
author Caracelli, Ignez
author_facet Caracelli, Ignez
Coelho, Daniel C. S.
Olivato, Paulo R.
Correra, Thiago C.
Rodrigues, Alessandro [UNIFESP]
Tiekink, Edward R. T.
author_role author
author2 Coelho, Daniel C. S.
Olivato, Paulo R.
Correra, Thiago C.
Rodrigues, Alessandro [UNIFESP]
Tiekink, Edward R. T.
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv Universidade Federal de São Carlos (UFSCar)
Universidade de São Paulo (USP)
Universidade Federal de São Paulo (UNIFESP)
Univ Malaya
dc.contributor.author.fl_str_mv Caracelli, Ignez
Coelho, Daniel C. S.
Olivato, Paulo R.
Correra, Thiago C.
Rodrigues, Alessandro [UNIFESP]
Tiekink, Edward R. T.
description The central 1,3-oxazolidine-2-thione ring in the title compound, C17H15NO3S, is approximately planar with maximum deviations of 0.036 (4) and -0.041 (5) angstrom for the O and methylene-C atoms, respectively. the dihedral angles formed between this plane and the two benzene rings, which lie to the same side of the central plane, are 86.5 (2) [ring-bound benzene] and 50.6 (3)degrees. the ethan-1-one residue is also twisted out of the central plane, forming a O-C-N-C torsion angle of 151.5 (5)degrees. the dihedral angle formed by the benzene rings is 62.8 (2)degrees so that overall, the molecule has a twisted U-shape. in the crystal, molecules are linked into supramolecular arrays two molecules thick in the bc plane through C-H center dot center dot center dot O, C-H center dot center dot center dot S and C-H center dot center dot center dot pi interactions.
publishDate 2011
dc.date.none.fl_str_mv 2011-10-01
2016-01-24T14:17:14Z
2016-01-24T14:17:14Z
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1107/S160053681103858X
Acta Crystallographica Section E-structure Reports Online. Hoboken: Wiley-Blackwell, v. 67, p. O2755-+, 2011.
10.1107/S160053681103858X
WOS000295615400123.pdf
1600-5368
http://repositorio.unifesp.br/handle/11600/34074
WOS:000295615400123
url http://dx.doi.org/10.1107/S160053681103858X
http://repositorio.unifesp.br/handle/11600/34074
identifier_str_mv Acta Crystallographica Section E-structure Reports Online. Hoboken: Wiley-Blackwell, v. 67, p. O2755-+, 2011.
10.1107/S160053681103858X
WOS000295615400123.pdf
1600-5368
WOS:000295615400123
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Acta Crystallographica Section E-structure Reports Online
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
http://olabout.wiley.com/WileyCDA/Section/id-406071.html
eu_rights_str_mv openAccess
rights_invalid_str_mv http://olabout.wiley.com/WileyCDA/Section/id-406071.html
dc.format.none.fl_str_mv O2755-+
application/pdf
dc.publisher.none.fl_str_mv Wiley-Blackwell
publisher.none.fl_str_mv Wiley-Blackwell
dc.source.none.fl_str_mv reponame:Repositório Institucional da UNIFESP
instname:Universidade Federal de São Paulo (UNIFESP)
instacron:UNIFESP
instname_str Universidade Federal de São Paulo (UNIFESP)
instacron_str UNIFESP
institution UNIFESP
reponame_str Repositório Institucional da UNIFESP
collection Repositório Institucional da UNIFESP
repository.name.fl_str_mv Repositório Institucional da UNIFESP - Universidade Federal de São Paulo (UNIFESP)
repository.mail.fl_str_mv biblioteca.csp@unifesp.br
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