Cargando…
Crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate
In the title solvate, C(15)H(15)N(3)O(2)S·CH(3)OH, the thiosemicarbazone molecule is approximately planar; the maximum deviation from the mean plane is 0.4659 (14) Å and the dihedral angle between the aromatic rings is 9.83 (8)°. This conformation is supported by an intramolecular N—H⋯N hydrogen...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420048/ https://www.ncbi.nlm.nih.gov/pubmed/25995922 http://dx.doi.org/10.1107/S2056989015007227 |
_version_ | 1782369657897877504 |
---|---|
author | de Oliveira, Adriano Bof Beck, Johannes Landvogt, Christian Feitosa, Bárbara Regina Santos |
author_facet | de Oliveira, Adriano Bof Beck, Johannes Landvogt, Christian Feitosa, Bárbara Regina Santos |
author_sort | de Oliveira, Adriano Bof |
collection | PubMed |
description | In the title solvate, C(15)H(15)N(3)O(2)S·CH(3)OH, the thiosemicarbazone molecule is approximately planar; the maximum deviation from the mean plane is 0.4659 (14) Å and the dihedral angle between the aromatic rings is 9.83 (8)°. This conformation is supported by an intramolecular N—H⋯N hydrogen bond. In the crystal, the thiosemicarbazone molecules are linked into dimers by pairs of N—H⋯S hydrogen bonds, thereby generating R (2) (2)(8) loops. The methanol solvent molecule bonds to the thiosemicarbazone molecule through a bifurcated O—H⋯(O,O) hydrogen bond and also accepts an O—H⋯O link from the thiosemicarbazone molecule. Together, these links generate a three-dimensional network. |
format | Online Article Text |
id | pubmed-4420048 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44200482015-05-20 Crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate de Oliveira, Adriano Bof Beck, Johannes Landvogt, Christian Feitosa, Bárbara Regina Santos Acta Crystallogr E Crystallogr Commun Data Reports In the title solvate, C(15)H(15)N(3)O(2)S·CH(3)OH, the thiosemicarbazone molecule is approximately planar; the maximum deviation from the mean plane is 0.4659 (14) Å and the dihedral angle between the aromatic rings is 9.83 (8)°. This conformation is supported by an intramolecular N—H⋯N hydrogen bond. In the crystal, the thiosemicarbazone molecules are linked into dimers by pairs of N—H⋯S hydrogen bonds, thereby generating R (2) (2)(8) loops. The methanol solvent molecule bonds to the thiosemicarbazone molecule through a bifurcated O—H⋯(O,O) hydrogen bond and also accepts an O—H⋯O link from the thiosemicarbazone molecule. Together, these links generate a three-dimensional network. International Union of Crystallography 2015-04-18 /pmc/articles/PMC4420048/ /pubmed/25995922 http://dx.doi.org/10.1107/S2056989015007227 Text en © Oliveira 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 de Oliveira, Adriano Bof Beck, Johannes Landvogt, Christian Feitosa, Bárbara Regina Santos Crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate |
title | Crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate |
title_full | Crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate |
title_fullStr | Crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate |
title_full_unstemmed | Crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate |
title_short | Crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate |
title_sort | crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420048/ https://www.ncbi.nlm.nih.gov/pubmed/25995922 http://dx.doi.org/10.1107/S2056989015007227 |
work_keys_str_mv | AT deoliveiraadrianobof crystalstructureof4hydroxy3methoxybenzaldehyde4methylthiosemicarbazonemethanolmonosolvate AT beckjohannes crystalstructureof4hydroxy3methoxybenzaldehyde4methylthiosemicarbazonemethanolmonosolvate AT landvogtchristian crystalstructureof4hydroxy3methoxybenzaldehyde4methylthiosemicarbazonemethanolmonosolvate AT feitosabarbarareginasantos crystalstructureof4hydroxy3methoxybenzaldehyde4methylthiosemicarbazonemethanolmonosolvate |