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Crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarbazone monohydrate
In the title hydrate, C(9)H(12)N(4)S·H(2)O (systematic name: 3-methyl-1-{(E)-[(3-methylpyridin-2-yl)methylidene]amino}thiourea monohydrate), a small twist is noted between the pyridine ring and the rest of the organic molecule [dihedral angle = 6.96 (5)°]. The imine and pyridine N atoms are syn...
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/PMC4438841/ https://www.ncbi.nlm.nih.gov/pubmed/26029441 http://dx.doi.org/10.1107/S2056989015005034 |
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author | Mokhtaruddin, Nur Shuhada Mohd Ravoof, Thahira Begum S. A. Tahir, Mohamed Ibrahim Mohamed Tiekink, Edward R. T. |
author_facet | Mokhtaruddin, Nur Shuhada Mohd Ravoof, Thahira Begum S. A. Tahir, Mohamed Ibrahim Mohamed Tiekink, Edward R. T. |
author_sort | Mokhtaruddin, Nur Shuhada Mohd |
collection | PubMed |
description | In the title hydrate, C(9)H(12)N(4)S·H(2)O (systematic name: 3-methyl-1-{(E)-[(3-methylpyridin-2-yl)methylidene]amino}thiourea monohydrate), a small twist is noted between the pyridine ring and the rest of the organic molecule [dihedral angle = 6.96 (5)°]. The imine and pyridine N atoms are syn, and the amine H atoms are anti. The latter arrangement allows for the formation of an intramolecular N—H⋯N(imine) hydrogen bond. Both the N-bonded H atoms form hydrogen bonds to symmetry-related water molecules, and the latter forms O—H hydrogen bonds with the pyridine N and thione S atoms. These interactions lead to supramolecular layers that stack along the a-axis direction with no specific interactions between them. |
format | Online Article Text |
id | pubmed-4438841 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44388412015-05-30 Crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarbazone monohydrate Mokhtaruddin, Nur Shuhada Mohd Ravoof, Thahira Begum S. A. Tahir, Mohamed Ibrahim Mohamed Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Data Reports In the title hydrate, C(9)H(12)N(4)S·H(2)O (systematic name: 3-methyl-1-{(E)-[(3-methylpyridin-2-yl)methylidene]amino}thiourea monohydrate), a small twist is noted between the pyridine ring and the rest of the organic molecule [dihedral angle = 6.96 (5)°]. The imine and pyridine N atoms are syn, and the amine H atoms are anti. The latter arrangement allows for the formation of an intramolecular N—H⋯N(imine) hydrogen bond. Both the N-bonded H atoms form hydrogen bonds to symmetry-related water molecules, and the latter forms O—H hydrogen bonds with the pyridine N and thione S atoms. These interactions lead to supramolecular layers that stack along the a-axis direction with no specific interactions between them. International Union of Crystallography 2015-03-25 /pmc/articles/PMC4438841/ /pubmed/26029441 http://dx.doi.org/10.1107/S2056989015005034 Text en © Mokhtaruddin 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 Mokhtaruddin, Nur Shuhada Mohd Ravoof, Thahira Begum S. A. Tahir, Mohamed Ibrahim Mohamed Tiekink, Edward R. T. Crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarbazone monohydrate |
title | Crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarbazone monohydrate |
title_full | Crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarbazone monohydrate |
title_fullStr | Crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarbazone monohydrate |
title_full_unstemmed | Crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarbazone monohydrate |
title_short | Crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarbazone monohydrate |
title_sort | crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarbazone monohydrate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438841/ https://www.ncbi.nlm.nih.gov/pubmed/26029441 http://dx.doi.org/10.1107/S2056989015005034 |
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