1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone

Detalhes bibliográficos
Autor(a) principal: Bandeira, Katlen Crhistian Tribuzy
Data de Publicação: 2013
Outros Autores: Bresolin, Leandro, Nather, Christian, Jess, Inke, Oliveira, Adriano Bof de
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da FURG (RI FURG)
Texto Completo: http://repositorio.furg.br/handle/1/4619
Resumo: The title molecule, C9H7BrN4OS, is essentially planar [r.m.s. deviation = 0.066 (2) Å], the maximum deviation from the mean plane through the non-H atoms being 0.190 (3) Å for the terminal amine N atom. In the crystal, molecules are linked through N-H...O and N-H...S interactions, generating infinite chains along the b-axis direction. In turn, the chains are stacked along the a axis via [pi]-[pi] interactions [centroid-centroid distance = 3.470 (2) Å] and further connected by N-H...Br interactions into a three-dimensional network. An intramolecular N-H...O hydrogen bond is also observed.
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spelling Bandeira, Katlen Crhistian TribuzyBresolin, LeandroNather, ChristianJess, InkeOliveira, Adriano Bof de2014-09-24T03:11:34Z2014-09-24T03:11:34Z2013BANDEIRA, Katlen Crhistian Tribuzy et al. 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone. Acta Crystallographica. Section E, v. 69, n. 8, p. 1251-1252, 2013. Disponível em:<http://scripts.iucr.org/cgi-bin/paper?S1600536813018564>. Acesso em: 23 set. 2014.1600-5368http://repositorio.furg.br/handle/1/461910.1107/S1600536813018564The title molecule, C9H7BrN4OS, is essentially planar [r.m.s. deviation = 0.066 (2) Å], the maximum deviation from the mean plane through the non-H atoms being 0.190 (3) Å for the terminal amine N atom. In the crystal, molecules are linked through N-H...O and N-H...S interactions, generating infinite chains along the b-axis direction. In turn, the chains are stacked along the a axis via [pi]-[pi] interactions [centroid-centroid distance = 3.470 (2) Å] and further connected by N-H...Br interactions into a three-dimensional network. An intramolecular N-H...O hydrogen bond is also observed.engSingle-crystal X-ray studyT = 293 K;Mean (C–C) = 0.005 A°R factor = 0.039wR factor = 0.091Data-to-parameter ratio = 16.21-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazoneinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleinfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da FURG (RI FURG)instname:Universidade Federal do Rio Grande (FURG)instacron:FURGORIGINAL2.pdf2.pdfapplication/pdf451628https://repositorio.furg.br/bitstream/1/4619/1/2.pdfeec855841e94e8d023e1aa50dfdf33bbMD51open accessLICENSElicense.txtlicense.txttext/plain; charset=utf-81748https://repositorio.furg.br/bitstream/1/4619/2/license.txt8a4605be74aa9ea9d79846c1fba20a33MD52open access1/46192014-09-24 00:11:34.213open accessoai:repositorio.furg.br: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Repositório InstitucionalPUBhttps://repositorio.furg.br/oai/request || http://200.19.254.174/oai/requestopendoar:2014-09-24T03:11:34Repositório Institucional da FURG (RI FURG) - Universidade Federal do Rio Grande (FURG)false
dc.title.pt_BR.fl_str_mv 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone
title 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone
spellingShingle 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone
Bandeira, Katlen Crhistian Tribuzy
Single-crystal X-ray study
T = 293 K;
Mean (C–C) = 0.005 A°
R factor = 0.039
wR factor = 0.091
Data-to-parameter ratio = 16.2
title_short 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone
title_full 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone
title_fullStr 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone
title_full_unstemmed 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone
title_sort 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone
author Bandeira, Katlen Crhistian Tribuzy
author_facet Bandeira, Katlen Crhistian Tribuzy
Bresolin, Leandro
Nather, Christian
Jess, Inke
Oliveira, Adriano Bof de
author_role author
author2 Bresolin, Leandro
Nather, Christian
Jess, Inke
Oliveira, Adriano Bof de
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Bandeira, Katlen Crhistian Tribuzy
Bresolin, Leandro
Nather, Christian
Jess, Inke
Oliveira, Adriano Bof de
dc.subject.por.fl_str_mv Single-crystal X-ray study
T = 293 K;
Mean (C–C) = 0.005 A°
R factor = 0.039
wR factor = 0.091
Data-to-parameter ratio = 16.2
topic Single-crystal X-ray study
T = 293 K;
Mean (C–C) = 0.005 A°
R factor = 0.039
wR factor = 0.091
Data-to-parameter ratio = 16.2
description The title molecule, C9H7BrN4OS, is essentially planar [r.m.s. deviation = 0.066 (2) Å], the maximum deviation from the mean plane through the non-H atoms being 0.190 (3) Å for the terminal amine N atom. In the crystal, molecules are linked through N-H...O and N-H...S interactions, generating infinite chains along the b-axis direction. In turn, the chains are stacked along the a axis via [pi]-[pi] interactions [centroid-centroid distance = 3.470 (2) Å] and further connected by N-H...Br interactions into a three-dimensional network. An intramolecular N-H...O hydrogen bond is also observed.
publishDate 2013
dc.date.issued.fl_str_mv 2013
dc.date.accessioned.fl_str_mv 2014-09-24T03:11:34Z
dc.date.available.fl_str_mv 2014-09-24T03:11:34Z
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.citation.fl_str_mv BANDEIRA, Katlen Crhistian Tribuzy et al. 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone. Acta Crystallographica. Section E, v. 69, n. 8, p. 1251-1252, 2013. Disponível em:<http://scripts.iucr.org/cgi-bin/paper?S1600536813018564>. Acesso em: 23 set. 2014.
dc.identifier.uri.fl_str_mv http://repositorio.furg.br/handle/1/4619
dc.identifier.issn.none.fl_str_mv 1600-5368
dc.identifier.doi.pt_BR.fl_str_mv 10.1107/S1600536813018564
identifier_str_mv BANDEIRA, Katlen Crhistian Tribuzy et al. 1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone. Acta Crystallographica. Section E, v. 69, n. 8, p. 1251-1252, 2013. Disponível em:<http://scripts.iucr.org/cgi-bin/paper?S1600536813018564>. Acesso em: 23 set. 2014.
1600-5368
10.1107/S1600536813018564
url http://repositorio.furg.br/handle/1/4619
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.none.fl_str_mv reponame:Repositório Institucional da FURG (RI FURG)
instname:Universidade Federal do Rio Grande (FURG)
instacron:FURG
instname_str Universidade Federal do Rio Grande (FURG)
instacron_str FURG
institution FURG
reponame_str Repositório Institucional da FURG (RI FURG)
collection Repositório Institucional da FURG (RI FURG)
bitstream.url.fl_str_mv https://repositorio.furg.br/bitstream/1/4619/1/2.pdf
https://repositorio.furg.br/bitstream/1/4619/2/license.txt
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bitstream.checksumAlgorithm.fl_str_mv MD5
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repository.mail.fl_str_mv
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