Cargando…

Crystal structure of N-ethyl-2-(1,2,3,4-tetra­hydro­naphthalen-1-yl­idene)hydrazinecarbo­thio­amide

There are two crystallographically independent mol­ecules in the asymmetric unit of the title compound, C(13)H(17)N(3)S, one of them being disordered over the methyl group [site-occupancy ratio = 0.705 (5):0.295 (5)]. The maximum r.m.s. deviations from the mean plane of the non-H atoms for the tetra...

Descripción completa

Detalles Bibliográficos
Autores principales: de Oliveira, Adriano Bof, Beck, Johannes, Landvogt, Christian, de Farias, Renan Lira, Feitoza, Bárbara Regina Santos
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290584/
https://www.ncbi.nlm.nih.gov/pubmed/28217361
http://dx.doi.org/10.1107/S2056989017001311
_version_ 1782504662165880832
author de Oliveira, Adriano Bof
Beck, Johannes
Landvogt, Christian
de Farias, Renan Lira
Feitoza, Bárbara Regina Santos
author_facet de Oliveira, Adriano Bof
Beck, Johannes
Landvogt, Christian
de Farias, Renan Lira
Feitoza, Bárbara Regina Santos
author_sort de Oliveira, Adriano Bof
collection PubMed
description There are two crystallographically independent mol­ecules in the asymmetric unit of the title compound, C(13)H(17)N(3)S, one of them being disordered over the methyl group [site-occupancy ratio = 0.705 (5):0.295 (5)]. The maximum r.m.s. deviations from the mean plane of the non-H atoms for the tetra­lone fragments amount to 0.4572 (17) and 0.4558 (15) Å. The N—N—C—N fragments are not planar and torsion angles are −9.4 (2) and 8.3 (2)°. In the crystal, the mol­ecules are linked by weak N—H⋯S inter­actions into chains along [100] with graph-set motif C(4) and connected by weak N—H⋯S and C—H⋯S inter­actions, forming R (2) (1)(10) rings. The Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H⋯H (64.20%), H⋯S (12.60%) and H⋯C (12.00%) inter­actions. The crystal packing resembles a herringbone arrangement when viewed along [001].
format Online
Article
Text
id pubmed-5290584
institution National Center for Biotechnology Information
language English
publishDate 2017
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-52905842017-02-17 Crystal structure of N-ethyl-2-(1,2,3,4-tetra­hydro­naphthalen-1-yl­idene)hydrazinecarbo­thio­amide de Oliveira, Adriano Bof Beck, Johannes Landvogt, Christian de Farias, Renan Lira Feitoza, Bárbara Regina Santos Acta Crystallogr E Crystallogr Commun Research Communications There are two crystallographically independent mol­ecules in the asymmetric unit of the title compound, C(13)H(17)N(3)S, one of them being disordered over the methyl group [site-occupancy ratio = 0.705 (5):0.295 (5)]. The maximum r.m.s. deviations from the mean plane of the non-H atoms for the tetra­lone fragments amount to 0.4572 (17) and 0.4558 (15) Å. The N—N—C—N fragments are not planar and torsion angles are −9.4 (2) and 8.3 (2)°. In the crystal, the mol­ecules are linked by weak N—H⋯S inter­actions into chains along [100] with graph-set motif C(4) and connected by weak N—H⋯S and C—H⋯S inter­actions, forming R (2) (1)(10) rings. The Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H⋯H (64.20%), H⋯S (12.60%) and H⋯C (12.00%) inter­actions. The crystal packing resembles a herringbone arrangement when viewed along [001]. International Union of Crystallography 2017-01-31 /pmc/articles/PMC5290584/ /pubmed/28217361 http://dx.doi.org/10.1107/S2056989017001311 Text en © Oliveira et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
de Oliveira, Adriano Bof
Beck, Johannes
Landvogt, Christian
de Farias, Renan Lira
Feitoza, Bárbara Regina Santos
Crystal structure of N-ethyl-2-(1,2,3,4-tetra­hydro­naphthalen-1-yl­idene)hydrazinecarbo­thio­amide
title Crystal structure of N-ethyl-2-(1,2,3,4-tetra­hydro­naphthalen-1-yl­idene)hydrazinecarbo­thio­amide
title_full Crystal structure of N-ethyl-2-(1,2,3,4-tetra­hydro­naphthalen-1-yl­idene)hydrazinecarbo­thio­amide
title_fullStr Crystal structure of N-ethyl-2-(1,2,3,4-tetra­hydro­naphthalen-1-yl­idene)hydrazinecarbo­thio­amide
title_full_unstemmed Crystal structure of N-ethyl-2-(1,2,3,4-tetra­hydro­naphthalen-1-yl­idene)hydrazinecarbo­thio­amide
title_short Crystal structure of N-ethyl-2-(1,2,3,4-tetra­hydro­naphthalen-1-yl­idene)hydrazinecarbo­thio­amide
title_sort crystal structure of n-ethyl-2-(1,2,3,4-tetra­hydro­naphthalen-1-yl­idene)hydrazinecarbo­thio­amide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290584/
https://www.ncbi.nlm.nih.gov/pubmed/28217361
http://dx.doi.org/10.1107/S2056989017001311
work_keys_str_mv AT deoliveiraadrianobof crystalstructureofnethyl21234tetrahydronaphthalen1ylidenehydrazinecarbothioamide
AT beckjohannes crystalstructureofnethyl21234tetrahydronaphthalen1ylidenehydrazinecarbothioamide
AT landvogtchristian crystalstructureofnethyl21234tetrahydronaphthalen1ylidenehydrazinecarbothioamide
AT defariasrenanlira crystalstructureofnethyl21234tetrahydronaphthalen1ylidenehydrazinecarbothioamide
AT feitozabarbarareginasantos crystalstructureofnethyl21234tetrahydronaphthalen1ylidenehydrazinecarbothioamide