Crystal structure of (R)-2'-benz-yloxy-[1,1'-binaphthalen]-2-yl tri-fluoro-methane-sulfonate
Autor(a) principal: | |
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Data de Publicação: | 2014 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10316/109342 https://doi.org/10.1107/S1600536814019096 |
Resumo: | In the title compound, C28H19F3O4S, a new 2'-benz-yloxy (R)-BINOL derivative containing a tri-fluoro-methane-sulfonate group in the 2-position, the planes of the two naphthyl ring systems (r.m.s. deviations = 0.012 and 0.019 Å) are at an angle of 73.36 (2)°, and the planes of the benzyl ring and the naphthyl ring system bound to the ether O atom are at an angle of 75.67 (4)°. In the crystal, mol-ecules are linked via C-H⋯F hydrogen bonds, forming chains propagating along [100]. The chains are linked via a weak C-F⋯π inter-action and weak π-π inter-actions [shortest inter-centroid distance = 3.9158 (12) Å], forming a three-dimensional structure. The absolute structure of the mol-ecule in the crystal was determined by resonant scattering [Flack parameter = 0.02 (6)]. |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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7160 |
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Crystal structure of (R)-2'-benz-yloxy-[1,1'-binaphthalen]-2-yl tri-fluoro-methane-sulfonatecrystal structure; (R)-BINOLbinaphthylsulfonatechiralIn the title compound, C28H19F3O4S, a new 2'-benz-yloxy (R)-BINOL derivative containing a tri-fluoro-methane-sulfonate group in the 2-position, the planes of the two naphthyl ring systems (r.m.s. deviations = 0.012 and 0.019 Å) are at an angle of 73.36 (2)°, and the planes of the benzyl ring and the naphthyl ring system bound to the ether O atom are at an angle of 75.67 (4)°. In the crystal, mol-ecules are linked via C-H⋯F hydrogen bonds, forming chains propagating along [100]. The chains are linked via a weak C-F⋯π inter-action and weak π-π inter-actions [shortest inter-centroid distance = 3.9158 (12) Å], forming a three-dimensional structure. The absolute structure of the mol-ecule in the crystal was determined by resonant scattering [Flack parameter = 0.02 (6)].International Union of Crystallography2014-10-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/109342http://hdl.handle.net/10316/109342https://doi.org/10.1107/S1600536814019096eng1600-5368Carrilho, Rui M. B.Pereira, Mariette M.Maria, Teresa M. R.Eusébio, M. ErmelindaPaiva, V. H.info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-10-10T12:22:50Zoai:estudogeral.uc.pt:10316/109342Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:25:32.631943Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
Crystal structure of (R)-2'-benz-yloxy-[1,1'-binaphthalen]-2-yl tri-fluoro-methane-sulfonate |
title |
Crystal structure of (R)-2'-benz-yloxy-[1,1'-binaphthalen]-2-yl tri-fluoro-methane-sulfonate |
spellingShingle |
Crystal structure of (R)-2'-benz-yloxy-[1,1'-binaphthalen]-2-yl tri-fluoro-methane-sulfonate Carrilho, Rui M. B. crystal structure; (R)-BINOL binaphthyl sulfonate chiral |
title_short |
Crystal structure of (R)-2'-benz-yloxy-[1,1'-binaphthalen]-2-yl tri-fluoro-methane-sulfonate |
title_full |
Crystal structure of (R)-2'-benz-yloxy-[1,1'-binaphthalen]-2-yl tri-fluoro-methane-sulfonate |
title_fullStr |
Crystal structure of (R)-2'-benz-yloxy-[1,1'-binaphthalen]-2-yl tri-fluoro-methane-sulfonate |
title_full_unstemmed |
Crystal structure of (R)-2'-benz-yloxy-[1,1'-binaphthalen]-2-yl tri-fluoro-methane-sulfonate |
title_sort |
Crystal structure of (R)-2'-benz-yloxy-[1,1'-binaphthalen]-2-yl tri-fluoro-methane-sulfonate |
author |
Carrilho, Rui M. B. |
author_facet |
Carrilho, Rui M. B. Pereira, Mariette M. Maria, Teresa M. R. Eusébio, M. Ermelinda Paiva, V. H. |
author_role |
author |
author2 |
Pereira, Mariette M. Maria, Teresa M. R. Eusébio, M. Ermelinda Paiva, V. H. |
author2_role |
author author author author |
dc.contributor.author.fl_str_mv |
Carrilho, Rui M. B. Pereira, Mariette M. Maria, Teresa M. R. Eusébio, M. Ermelinda Paiva, V. H. |
dc.subject.por.fl_str_mv |
crystal structure; (R)-BINOL binaphthyl sulfonate chiral |
topic |
crystal structure; (R)-BINOL binaphthyl sulfonate chiral |
description |
In the title compound, C28H19F3O4S, a new 2'-benz-yloxy (R)-BINOL derivative containing a tri-fluoro-methane-sulfonate group in the 2-position, the planes of the two naphthyl ring systems (r.m.s. deviations = 0.012 and 0.019 Å) are at an angle of 73.36 (2)°, and the planes of the benzyl ring and the naphthyl ring system bound to the ether O atom are at an angle of 75.67 (4)°. In the crystal, mol-ecules are linked via C-H⋯F hydrogen bonds, forming chains propagating along [100]. The chains are linked via a weak C-F⋯π inter-action and weak π-π inter-actions [shortest inter-centroid distance = 3.9158 (12) Å], forming a three-dimensional structure. The absolute structure of the mol-ecule in the crystal was determined by resonant scattering [Flack parameter = 0.02 (6)]. |
publishDate |
2014 |
dc.date.none.fl_str_mv |
2014-10-01 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10316/109342 http://hdl.handle.net/10316/109342 https://doi.org/10.1107/S1600536814019096 |
url |
http://hdl.handle.net/10316/109342 https://doi.org/10.1107/S1600536814019096 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
1600-5368 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.publisher.none.fl_str_mv |
International Union of Crystallography |
publisher.none.fl_str_mv |
International Union of Crystallography |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
instname_str |
Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
repository.mail.fl_str_mv |
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1799134138070990848 |