Crystal structure of 2-[(E)-4-benz­yloxy-2-hy­droxy­benzyl­idene]-N-cyclo­hexyl­hydrazinecarbo­thio­amide aceto­nitrile hemisolvate

The asymmetric unit of the title compound, C(21)H(25)N(3)O(2)S·0.5C(2)H(3)N, contains two independent mol­ecules with almost similar structural properties along with a solvent mol­ecule of aceto­nitrile. The compound exists in the E conformation with respect to the azomethine C=N double bond. The hy...

Descripción completa

Detalles Bibliográficos
Autores principales: Sajitha, N. R., Sithambaresan, M., Kurup, M. R. Prathapachandra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186196/
https://www.ncbi.nlm.nih.gov/pubmed/25309295
http://dx.doi.org/10.1107/S1600536814017905
_version_ 1782338019033874432
author Sajitha, N. R.
Sithambaresan, M.
Kurup, M. R. Prathapachandra
author_facet Sajitha, N. R.
Sithambaresan, M.
Kurup, M. R. Prathapachandra
author_sort Sajitha, N. R.
collection PubMed
description The asymmetric unit of the title compound, C(21)H(25)N(3)O(2)S·0.5C(2)H(3)N, contains two independent mol­ecules with almost similar structural properties along with a solvent mol­ecule of aceto­nitrile. The compound exists in the E conformation with respect to the azomethine C=N double bond. The hydrazinecarbo­thio­amide moieties in both independent mol­ecules are almost planar [maximum deviations of 0.013 (2) and 0.007 (2) Å]. The mol­ecular conformation is stabilized in each case by an intra­molecular N—H⋯N hydrogen bond. In the crystal, pairs of N—H⋯S hydrogen bonds link each of the independent mol­ecules into inversion dimers. The dimers are inter­connected by means of three C—H⋯π inter­actions.
format Online
Article
Text
id pubmed-4186196
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-41861962014-10-12 Crystal structure of 2-[(E)-4-benz­yloxy-2-hy­droxy­benzyl­idene]-N-cyclo­hexyl­hydrazinecarbo­thio­amide aceto­nitrile hemisolvate Sajitha, N. R. Sithambaresan, M. Kurup, M. R. Prathapachandra Acta Crystallogr Sect E Struct Rep Online Data Reports The asymmetric unit of the title compound, C(21)H(25)N(3)O(2)S·0.5C(2)H(3)N, contains two independent mol­ecules with almost similar structural properties along with a solvent mol­ecule of aceto­nitrile. The compound exists in the E conformation with respect to the azomethine C=N double bond. The hydrazinecarbo­thio­amide moieties in both independent mol­ecules are almost planar [maximum deviations of 0.013 (2) and 0.007 (2) Å]. The mol­ecular conformation is stabilized in each case by an intra­molecular N—H⋯N hydrogen bond. In the crystal, pairs of N—H⋯S hydrogen bonds link each of the independent mol­ecules into inversion dimers. The dimers are inter­connected by means of three C—H⋯π inter­actions. International Union of Crystallography 2014-08-09 /pmc/articles/PMC4186196/ /pubmed/25309295 http://dx.doi.org/10.1107/S1600536814017905 Text en © Sajitha et al. 2014 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
Sajitha, N. R.
Sithambaresan, M.
Kurup, M. R. Prathapachandra
Crystal structure of 2-[(E)-4-benz­yloxy-2-hy­droxy­benzyl­idene]-N-cyclo­hexyl­hydrazinecarbo­thio­amide aceto­nitrile hemisolvate
title Crystal structure of 2-[(E)-4-benz­yloxy-2-hy­droxy­benzyl­idene]-N-cyclo­hexyl­hydrazinecarbo­thio­amide aceto­nitrile hemisolvate
title_full Crystal structure of 2-[(E)-4-benz­yloxy-2-hy­droxy­benzyl­idene]-N-cyclo­hexyl­hydrazinecarbo­thio­amide aceto­nitrile hemisolvate
title_fullStr Crystal structure of 2-[(E)-4-benz­yloxy-2-hy­droxy­benzyl­idene]-N-cyclo­hexyl­hydrazinecarbo­thio­amide aceto­nitrile hemisolvate
title_full_unstemmed Crystal structure of 2-[(E)-4-benz­yloxy-2-hy­droxy­benzyl­idene]-N-cyclo­hexyl­hydrazinecarbo­thio­amide aceto­nitrile hemisolvate
title_short Crystal structure of 2-[(E)-4-benz­yloxy-2-hy­droxy­benzyl­idene]-N-cyclo­hexyl­hydrazinecarbo­thio­amide aceto­nitrile hemisolvate
title_sort crystal structure of 2-[(e)-4-benz­yloxy-2-hy­droxy­benzyl­idene]-n-cyclo­hexyl­hydrazinecarbo­thio­amide aceto­nitrile hemisolvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186196/
https://www.ncbi.nlm.nih.gov/pubmed/25309295
http://dx.doi.org/10.1107/S1600536814017905
work_keys_str_mv AT sajithanr crystalstructureof2e4benzyloxy2hydroxybenzylidenencyclohexylhydrazinecarbothioamideacetonitrilehemisolvate
AT sithambaresanm crystalstructureof2e4benzyloxy2hydroxybenzylidenencyclohexylhydrazinecarbothioamideacetonitrilehemisolvate
AT kurupmrprathapachandra crystalstructureof2e4benzyloxy2hydroxybenzylidenencyclohexylhydrazinecarbothioamideacetonitrilehemisolvate

Ejemplares similares