1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazide

Detalhes bibliográficos
Autor(a) principal: Bittencourt, Viviane Conceição Duarte de
Data de Publicação: 2012
Outros Autores: Gervini, Vanessa Carratu, Bresolin, Leandro, Locatelli, Aline, 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/1/4621
Resumo: The title molecule, C5H5N5O3S, is approximately planar, with a maximum deviation from the mean plane through the non-H atoms of 0.182 (3) Å for the amine N atom. In the crystal, molecules are connected via N-H...O and N-H...S interactions, building a three-dimensional hydrogen-bonded network. Additionally, a weak intramolecular N-H...O hydrogen bond is observed.
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spelling Bittencourt, Viviane Conceição Duarte deGervini, Vanessa CarratuBresolin, LeandroLocatelli, AlineOliveira, Adriano Bof de2014-09-24T03:18:57Z2014-09-24T03:18:57Z2012BITTENCOURT, Viviane Conceição Duarte de et al. 1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazide. cta Crystallographica Section E, v. 68, n. 4, p. 1187, 2012. Disponível em:<http://scripts.iucr.org/cgi-bin/paper?S1600536812012007>. Acesso em: 23 set. 2014.1600-5368http://repositorio.furg.br/handle/1/462110.1107/S1600536812012007The title molecule, C5H5N5O3S, is approximately planar, with a maximum deviation from the mean plane through the non-H atoms of 0.182 (3) Å for the amine N atom. In the crystal, molecules are connected via N-H...O and N-H...S interactions, building a three-dimensional hydrogen-bonded network. Additionally, a weak intramolecular N-H...O hydrogen bond is observed.engSingle-crystal X-ray studyT = 293 KMean (C–C) = 0.005 A°R factor = 0.056wR factor = 0.148Data-to-parameter ratio = 13.11-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazideinfo: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:FURGORIGINAL5.pdf5.pdfapplication/pdf414758https://repositorio.furg.br/bitstream/1/4621/1/5.pdf8e58d4f33f2d82268c0e6c6946563f9cMD51open accessLICENSElicense.txtlicense.txttext/plain; charset=utf-81748https://repositorio.furg.br/bitstream/1/4621/2/license.txt8a4605be74aa9ea9d79846c1fba20a33MD52open access1/46212014-09-24 00:18:57.363open accessoai:repositorio.furg.br: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Repositório InstitucionalPUBhttps://repositorio.furg.br/oai/request || http://200.19.254.174/oai/requestopendoar:2014-09-24T03:18:57Repositório Institucional da FURG (RI FURG) - Universidade Federal do Rio Grande (FURG)false
dc.title.pt_BR.fl_str_mv 1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazide
title 1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazide
spellingShingle 1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazide
Bittencourt, Viviane Conceição Duarte de
Single-crystal X-ray study
T = 293 K
Mean (C–C) = 0.005 A°
R factor = 0.056
wR factor = 0.148
Data-to-parameter ratio = 13.1
title_short 1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazide
title_full 1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazide
title_fullStr 1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazide
title_full_unstemmed 1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazide
title_sort 1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazide
author Bittencourt, Viviane Conceição Duarte de
author_facet Bittencourt, Viviane Conceição Duarte de
Gervini, Vanessa Carratu
Bresolin, Leandro
Locatelli, Aline
Oliveira, Adriano Bof de
author_role author
author2 Gervini, Vanessa Carratu
Bresolin, Leandro
Locatelli, Aline
Oliveira, Adriano Bof de
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Bittencourt, Viviane Conceição Duarte de
Gervini, Vanessa Carratu
Bresolin, Leandro
Locatelli, Aline
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 = 0.056
wR factor = 0.148
Data-to-parameter ratio = 13.1
topic Single-crystal X-ray study
T = 293 K
Mean (C–C) = 0.005 A°
R factor = 0.056
wR factor = 0.148
Data-to-parameter ratio = 13.1
description The title molecule, C5H5N5O3S, is approximately planar, with a maximum deviation from the mean plane through the non-H atoms of 0.182 (3) Å for the amine N atom. In the crystal, molecules are connected via N-H...O and N-H...S interactions, building a three-dimensional hydrogen-bonded network. Additionally, a weak intramolecular N-H...O hydrogen bond is observed.
publishDate 2012
dc.date.issued.fl_str_mv 2012
dc.date.accessioned.fl_str_mv 2014-09-24T03:18:57Z
dc.date.available.fl_str_mv 2014-09-24T03:18:57Z
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 BITTENCOURT, Viviane Conceição Duarte de et al. 1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazide. cta Crystallographica Section E, v. 68, n. 4, p. 1187, 2012. Disponível em:<http://scripts.iucr.org/cgi-bin/paper?S1600536812012007>. Acesso em: 23 set. 2014.
dc.identifier.uri.fl_str_mv http://repositorio.furg.br/handle/1/4621
dc.identifier.issn.none.fl_str_mv 1600-5368
dc.identifier.doi.pt_BR.fl_str_mv 10.1107/S1600536812012007
identifier_str_mv BITTENCOURT, Viviane Conceição Duarte de et al. 1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)- thiosemicarbazide. cta Crystallographica Section E, v. 68, n. 4, p. 1187, 2012. Disponível em:<http://scripts.iucr.org/cgi-bin/paper?S1600536812012007>. Acesso em: 23 set. 2014.
1600-5368
10.1107/S1600536812012007
url http://repositorio.furg.br/handle/1/4621
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/1/4621/1/5.pdf
https://repositorio.furg.br/bitstream/1/4621/2/license.txt
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repository.mail.fl_str_mv
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