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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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 |
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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 |
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