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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...

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Autores principales: Mokhtaruddin, Nur Shuhada Mohd, Ravoof, Thahira Begum S. A., Tahir, Mohamed Ibrahim Mohamed, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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