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Crystal structure of 2-[2-(hy­droxy­imino)-1-phenyl­propyl­idene]-N-phen­ylhydrazinecarbo­thio­amide

In the title compound, C(16)H(16)N(4)OS, an intra­molecular C—H⋯S hydrogen bond is observed. With the exception of the phenyl ring of the phenyl­propyl­idene unit, the remainder of the mol­ecule has an almost planar skeleton with an r.m.s. deviation of 0.121 (5) Å from the plane through the remainin...

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Autores principales: Anderson, Brian J., Freedman, Michael B., Millikan, Sean P., Smolenski, Victoria A., Jasinski, Jerry P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647349/
https://www.ncbi.nlm.nih.gov/pubmed/26594484
http://dx.doi.org/10.1107/S2056989015017739
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author Anderson, Brian J.
Freedman, Michael B.
Millikan, Sean P.
Smolenski, Victoria A.
Jasinski, Jerry P.
author_facet Anderson, Brian J.
Freedman, Michael B.
Millikan, Sean P.
Smolenski, Victoria A.
Jasinski, Jerry P.
author_sort Anderson, Brian J.
collection PubMed
description In the title compound, C(16)H(16)N(4)OS, an intra­molecular C—H⋯S hydrogen bond is observed. With the exception of the phenyl ring of the phenyl­propyl­idene unit, the remainder of the mol­ecule has an almost planar skeleton with an r.m.s. deviation of 0.121 (5) Å from the plane through the remaining 16 atoms. In the crystal O—H⋯N hydrogen bonds are observed between the terminal hy­droxy­imino groups, forming inverson dimers with R (2) (2)(6) graph-set motifs. Additional C—H⋯N contacts stack the dimers along [100]. While no π—π inter­actions are present, weak C—H⋯O and O—H⋯Cg inter­actions are also observed and help stabilize the crystal packing.
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spelling pubmed-46473492015-11-20 Crystal structure of 2-[2-(hy­droxy­imino)-1-phenyl­propyl­idene]-N-phen­ylhydrazinecarbo­thio­amide Anderson, Brian J. Freedman, Michael B. Millikan, Sean P. Smolenski, Victoria A. Jasinski, Jerry P. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(16)H(16)N(4)OS, an intra­molecular C—H⋯S hydrogen bond is observed. With the exception of the phenyl ring of the phenyl­propyl­idene unit, the remainder of the mol­ecule has an almost planar skeleton with an r.m.s. deviation of 0.121 (5) Å from the plane through the remaining 16 atoms. In the crystal O—H⋯N hydrogen bonds are observed between the terminal hy­droxy­imino groups, forming inverson dimers with R (2) (2)(6) graph-set motifs. Additional C—H⋯N contacts stack the dimers along [100]. While no π—π inter­actions are present, weak C—H⋯O and O—H⋯Cg inter­actions are also observed and help stabilize the crystal packing. International Union of Crystallography 2015-09-26 /pmc/articles/PMC4647349/ /pubmed/26594484 http://dx.doi.org/10.1107/S2056989015017739 Text en © Anderson 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
Anderson, Brian J.
Freedman, Michael B.
Millikan, Sean P.
Smolenski, Victoria A.
Jasinski, Jerry P.
Crystal structure of 2-[2-(hy­droxy­imino)-1-phenyl­propyl­idene]-N-phen­ylhydrazinecarbo­thio­amide
title Crystal structure of 2-[2-(hy­droxy­imino)-1-phenyl­propyl­idene]-N-phen­ylhydrazinecarbo­thio­amide
title_full Crystal structure of 2-[2-(hy­droxy­imino)-1-phenyl­propyl­idene]-N-phen­ylhydrazinecarbo­thio­amide
title_fullStr Crystal structure of 2-[2-(hy­droxy­imino)-1-phenyl­propyl­idene]-N-phen­ylhydrazinecarbo­thio­amide
title_full_unstemmed Crystal structure of 2-[2-(hy­droxy­imino)-1-phenyl­propyl­idene]-N-phen­ylhydrazinecarbo­thio­amide
title_short Crystal structure of 2-[2-(hy­droxy­imino)-1-phenyl­propyl­idene]-N-phen­ylhydrazinecarbo­thio­amide
title_sort crystal structure of 2-[2-(hy­droxy­imino)-1-phenyl­propyl­idene]-n-phen­ylhydrazinecarbo­thio­amide
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647349/
https://www.ncbi.nlm.nih.gov/pubmed/26594484
http://dx.doi.org/10.1107/S2056989015017739
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