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Crystal structure of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl­idene]-N-methyl­hydrazine-1-carbo­thio­amide

In the title compound, C(11)H(13)N(3)O(2)S, there is a short intra­molecular N—H⋯N contact. The benzo[d][1,3]dioxole ring system is approximately planar (r.m.s. deviation = 0.025 Å) and makes a dihedral angle of 56.83 (6)° with the mean plane of the methyl­thio­semicarbazone fragment [–N—N—C(=S)—N—C...

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Autores principales: de Oliveira, Adriano Bof, Näther, Christian, Jess, Inke, de Farias, Renan Lira, Ribeiro, Iasmin Alves
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331916/
https://www.ncbi.nlm.nih.gov/pubmed/25705494
http://dx.doi.org/10.1107/S2056989014026395
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author de Oliveira, Adriano Bof
Näther, Christian
Jess, Inke
de Farias, Renan Lira
Ribeiro, Iasmin Alves
author_facet de Oliveira, Adriano Bof
Näther, Christian
Jess, Inke
de Farias, Renan Lira
Ribeiro, Iasmin Alves
author_sort de Oliveira, Adriano Bof
collection PubMed
description In the title compound, C(11)H(13)N(3)O(2)S, there is a short intra­molecular N—H⋯N contact. The benzo[d][1,3]dioxole ring system is approximately planar (r.m.s. deviation = 0.025 Å) and makes a dihedral angle of 56.83 (6)° with the mean plane of the methyl­thio­semicarbazone fragment [–N—N—C(=S)—N—C; maximum deviation = 0.1111 (14) Å for the imino N atom]. In the crystal, mol­ecules are linked via pairs of N—H⋯S hydrogen bonds, forming inversion dimers. The dimers are connected by N—H⋯S hydrogen bonds into layers parallel to (100). The H atoms of both methyl groups are disordered over two sets of sites and were refined with occupancy ratios of 0.5:0.5 and 0.75:0.25.
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spelling pubmed-43319162015-02-20 Crystal structure of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl­idene]-N-methyl­hydrazine-1-carbo­thio­amide de Oliveira, Adriano Bof Näther, Christian Jess, Inke de Farias, Renan Lira Ribeiro, Iasmin Alves Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(11)H(13)N(3)O(2)S, there is a short intra­molecular N—H⋯N contact. The benzo[d][1,3]dioxole ring system is approximately planar (r.m.s. deviation = 0.025 Å) and makes a dihedral angle of 56.83 (6)° with the mean plane of the methyl­thio­semicarbazone fragment [–N—N—C(=S)—N—C; maximum deviation = 0.1111 (14) Å for the imino N atom]. In the crystal, mol­ecules are linked via pairs of N—H⋯S hydrogen bonds, forming inversion dimers. The dimers are connected by N—H⋯S hydrogen bonds into layers parallel to (100). The H atoms of both methyl groups are disordered over two sets of sites and were refined with occupancy ratios of 0.5:0.5 and 0.75:0.25. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331916/ /pubmed/25705494 http://dx.doi.org/10.1107/S2056989014026395 Text en © Oliveira et al. 2015 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 Data Reports
de Oliveira, Adriano Bof
Näther, Christian
Jess, Inke
de Farias, Renan Lira
Ribeiro, Iasmin Alves
Crystal structure of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl­idene]-N-methyl­hydrazine-1-carbo­thio­amide
title Crystal structure of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl­idene]-N-methyl­hydrazine-1-carbo­thio­amide
title_full Crystal structure of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl­idene]-N-methyl­hydrazine-1-carbo­thio­amide
title_fullStr Crystal structure of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl­idene]-N-methyl­hydrazine-1-carbo­thio­amide
title_full_unstemmed Crystal structure of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl­idene]-N-methyl­hydrazine-1-carbo­thio­amide
title_short Crystal structure of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl­idene]-N-methyl­hydrazine-1-carbo­thio­amide
title_sort crystal structure of (e)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl­idene]-n-methyl­hydrazine-1-carbo­thio­amide
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331916/
https://www.ncbi.nlm.nih.gov/pubmed/25705494
http://dx.doi.org/10.1107/S2056989014026395
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