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

The title mol­ecule, C(9)H(7)BrN(4)OS, 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 in...

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Autores principales: Bandeira, Katlen C. T., Bresolin, Leandro, Näther, Christian, Jess, Inke, Oliveira, Adriano B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793752/
https://www.ncbi.nlm.nih.gov/pubmed/24109339
http://dx.doi.org/10.1107/S1600536813018564
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author Bandeira, Katlen C. T.
Bresolin, Leandro
Näther, Christian
Jess, Inke
Oliveira, Adriano B.
author_facet Bandeira, Katlen C. T.
Bresolin, Leandro
Näther, Christian
Jess, Inke
Oliveira, Adriano B.
author_sort Bandeira, Katlen C. T.
collection PubMed
description The title mol­ecule, C(9)H(7)BrN(4)OS, 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 π–π 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 pubmed-37937522013-10-09 1-(5-Bromo-2-oxoindolin-3-yl­idene)thio­semicarbazone Bandeira, Katlen C. T. Bresolin, Leandro Näther, Christian Jess, Inke Oliveira, Adriano B. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title mol­ecule, C(9)H(7)BrN(4)OS, 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 π–π 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. International Union of Crystallography 2013-07-13 /pmc/articles/PMC3793752/ /pubmed/24109339 http://dx.doi.org/10.1107/S1600536813018564 Text en © Bandeira et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Bandeira, Katlen C. T.
Bresolin, Leandro
Näther, Christian
Jess, Inke
Oliveira, Adriano B.
1-(5-Bromo-2-oxoindolin-3-yl­idene)thio­semicarbazone
title 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_short 1-(5-Bromo-2-oxoindolin-3-yl­idene)thio­semicarbazone
title_sort 1-(5-bromo-2-oxoindolin-3-yl­idene)thio­semicarbazone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793752/
https://www.ncbi.nlm.nih.gov/pubmed/24109339
http://dx.doi.org/10.1107/S1600536813018564
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