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The crystal structure of 1-(2-hydroxy-5-meth­oxy­phen­yl)ethanone 4,4-di­methyl­thio­semicarbazone

The asymmetric unit of the title compound, C(12)H(17)N(3)O(2)S, contains two independent mol­ecules, A and B. Both mol­ecules are nearly planar with the dihedral angle between the mean planes of the thio­amide group and benzene ring being 7.5 (1)° in A and 4.3 (2)° in B. In each mol­ecule, the hy­dr...

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Detalles Bibliográficos
Autores principales: Anderson, Brian J., Freedman, Michael B., 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/PMC4645029/
https://www.ncbi.nlm.nih.gov/pubmed/26594539
http://dx.doi.org/10.1107/S2056989015018228
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author Anderson, Brian J.
Freedman, Michael B.
Smolenski, Victoria A.
Jasinski, Jerry P.
author_facet Anderson, Brian J.
Freedman, Michael B.
Smolenski, Victoria A.
Jasinski, Jerry P.
author_sort Anderson, Brian J.
collection PubMed
description The asymmetric unit of the title compound, C(12)H(17)N(3)O(2)S, contains two independent mol­ecules, A and B. Both mol­ecules are nearly planar with the dihedral angle between the mean planes of the thio­amide group and benzene ring being 7.5 (1)° in A and 4.3 (2)° in B. In each mol­ecule, the hy­droxy group participates in intra­molecular O—H⋯N hydrogen bonding, while the amino H atom is not involved in hydrogen bonding because of the steric hinderence caused by two neighboring methyl groups. In the crystal, the individual molecules are linked by weak C—H⋯O hydrogen bonds, forming A–A and B–B inversion dimers. The dimers are linked via C—H⋯π inter­actions which help stabilize the packing.
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spelling pubmed-46450292015-11-20 The crystal structure of 1-(2-hydroxy-5-meth­oxy­phen­yl)ethanone 4,4-di­methyl­thio­semicarbazone Anderson, Brian J. Freedman, Michael B. Smolenski, Victoria A. Jasinski, Jerry P. Acta Crystallogr E Crystallogr Commun Data Reports The asymmetric unit of the title compound, C(12)H(17)N(3)O(2)S, contains two independent mol­ecules, A and B. Both mol­ecules are nearly planar with the dihedral angle between the mean planes of the thio­amide group and benzene ring being 7.5 (1)° in A and 4.3 (2)° in B. In each mol­ecule, the hy­droxy group participates in intra­molecular O—H⋯N hydrogen bonding, while the amino H atom is not involved in hydrogen bonding because of the steric hinderence caused by two neighboring methyl groups. In the crystal, the individual molecules are linked by weak C—H⋯O hydrogen bonds, forming A–A and B–B inversion dimers. The dimers are linked via C—H⋯π inter­actions which help stabilize the packing. International Union of Crystallography 2015-10-03 /pmc/articles/PMC4645029/ /pubmed/26594539 http://dx.doi.org/10.1107/S2056989015018228 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.
Smolenski, Victoria A.
Jasinski, Jerry P.
The crystal structure of 1-(2-hydroxy-5-meth­oxy­phen­yl)ethanone 4,4-di­methyl­thio­semicarbazone
title The crystal structure of 1-(2-hydroxy-5-meth­oxy­phen­yl)ethanone 4,4-di­methyl­thio­semicarbazone
title_full The crystal structure of 1-(2-hydroxy-5-meth­oxy­phen­yl)ethanone 4,4-di­methyl­thio­semicarbazone
title_fullStr The crystal structure of 1-(2-hydroxy-5-meth­oxy­phen­yl)ethanone 4,4-di­methyl­thio­semicarbazone
title_full_unstemmed The crystal structure of 1-(2-hydroxy-5-meth­oxy­phen­yl)ethanone 4,4-di­methyl­thio­semicarbazone
title_short The crystal structure of 1-(2-hydroxy-5-meth­oxy­phen­yl)ethanone 4,4-di­methyl­thio­semicarbazone
title_sort crystal structure of 1-(2-hydroxy-5-meth­oxy­phen­yl)ethanone 4,4-di­methyl­thio­semicarbazone
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645029/
https://www.ncbi.nlm.nih.gov/pubmed/26594539
http://dx.doi.org/10.1107/S2056989015018228
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