1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone

Detalhes bibliográficos
Autor(a) principal: Oliveira, Adriano Bof de
Data de Publicação: 2013
Outros Autores: Farias, Renan Lira de, Näther, Christian, Jess, Inke, Bresolin, Leandro
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da FURG (RI FURG)
Texto Completo: http://repositorio.furg.br/handle/1/4620
Resumo: In the title compound, C10H11N3O2S, the 1,3-benzodioxole and hydrazinecarbothioamide fragments are nearly planar [(mean deviations from planarity for non-H atoms of 0.0325 (12) Å and 0.0707 (10) Å, respectively] and subtend a dihedral angle of 29.06 (5)°. In the crystal, molecules are linked by pairs of almost linear N-H...S hydrogen bonds, forming inversion dimers. These dimers are additionally connected by weaker and strongly bent N-H...S interactions into chains along [101]. There is one additional weak N-H...O contact which, if considered as an interaction, leads to the formation of a three-dimensional network.
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spelling 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazoneSingle-crystal X-ray studyT = 200 KMean (C–C) = 0.002 A°R factor = 0.037wR factor = 0.107Data-to-parameter ratio = 15.7In the title compound, C10H11N3O2S, the 1,3-benzodioxole and hydrazinecarbothioamide fragments are nearly planar [(mean deviations from planarity for non-H atoms of 0.0325 (12) Å and 0.0707 (10) Å, respectively] and subtend a dihedral angle of 29.06 (5)°. In the crystal, molecules are linked by pairs of almost linear N-H...S hydrogen bonds, forming inversion dimers. These dimers are additionally connected by weaker and strongly bent N-H...S interactions into chains along [101]. There is one additional weak N-H...O contact which, if considered as an interaction, leads to the formation of a three-dimensional network.Programa FAPITEC / SE / FUNTEC/CNPq.2014-09-24T03:15:25Z2014-09-24T03:15:25Z2013info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfOLIVEIRA, Adriano Bof de et al. 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone. Acta Crystallographica. Section E, v. 69, n. 5, p. 644, 2013. Disponível em:<http://scripts.iucr.org/cgi-bin/paper?S1600536813008398>. Acesso em: 23 set. 2014.1600-5368http://repositorio.furg.br/handle/1/462010.1107/S1600536813008398engOliveira, Adriano Bof deFarias, Renan Lira deNäther, ChristianJess, InkeBresolin, Leandroinfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da FURG (RI FURG)instname:Universidade Federal do Rio Grande (FURG)instacron:FURG2023-12-06T15:53:54Zoai:repositorio.furg.br:1/4620Repositório InstitucionalPUBhttps://repositorio.furg.br/oai/request || http://200.19.254.174/oai/requestopendoar:2023-12-06T15:53:54Repositório Institucional da FURG (RI FURG) - Universidade Federal do Rio Grande (FURG)false
dc.title.none.fl_str_mv 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone
title 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone
spellingShingle 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone
Oliveira, Adriano Bof de
Single-crystal X-ray study
T = 200 K
Mean (C–C) = 0.002 A°
R factor = 0.037
wR factor = 0.107
Data-to-parameter ratio = 15.7
title_short 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone
title_full 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone
title_fullStr 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone
title_full_unstemmed 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone
title_sort 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone
author Oliveira, Adriano Bof de
author_facet Oliveira, Adriano Bof de
Farias, Renan Lira de
Näther, Christian
Jess, Inke
Bresolin, Leandro
author_role author
author2 Farias, Renan Lira de
Näther, Christian
Jess, Inke
Bresolin, Leandro
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Oliveira, Adriano Bof de
Farias, Renan Lira de
Näther, Christian
Jess, Inke
Bresolin, Leandro
dc.subject.por.fl_str_mv Single-crystal X-ray study
T = 200 K
Mean (C–C) = 0.002 A°
R factor = 0.037
wR factor = 0.107
Data-to-parameter ratio = 15.7
topic Single-crystal X-ray study
T = 200 K
Mean (C–C) = 0.002 A°
R factor = 0.037
wR factor = 0.107
Data-to-parameter ratio = 15.7
description In the title compound, C10H11N3O2S, the 1,3-benzodioxole and hydrazinecarbothioamide fragments are nearly planar [(mean deviations from planarity for non-H atoms of 0.0325 (12) Å and 0.0707 (10) Å, respectively] and subtend a dihedral angle of 29.06 (5)°. In the crystal, molecules are linked by pairs of almost linear N-H...S hydrogen bonds, forming inversion dimers. These dimers are additionally connected by weaker and strongly bent N-H...S interactions into chains along [101]. There is one additional weak N-H...O contact which, if considered as an interaction, leads to the formation of a three-dimensional network.
publishDate 2013
dc.date.none.fl_str_mv 2013
2014-09-24T03:15:25Z
2014-09-24T03:15:25Z
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 OLIVEIRA, Adriano Bof de et al. 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone. Acta Crystallographica. Section E, v. 69, n. 5, p. 644, 2013. Disponível em:<http://scripts.iucr.org/cgi-bin/paper?S1600536813008398>. Acesso em: 23 set. 2014.
1600-5368
http://repositorio.furg.br/handle/1/4620
10.1107/S1600536813008398
identifier_str_mv OLIVEIRA, Adriano Bof de et al. 1-(2 H -1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone. Acta Crystallographica. Section E, v. 69, n. 5, p. 644, 2013. Disponível em:<http://scripts.iucr.org/cgi-bin/paper?S1600536813008398>. Acesso em: 23 set. 2014.
1600-5368
10.1107/S1600536813008398
url http://repositorio.furg.br/handle/1/4620
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.format.none.fl_str_mv application/pdf
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)
repository.name.fl_str_mv Repositório Institucional da FURG (RI FURG) - Universidade Federal do Rio Grande (FURG)
repository.mail.fl_str_mv
_version_ 1813187261434429440

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