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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4647349 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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