crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarbazone monohydrate

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ID: 197868
2015
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Abstract
In the title hydrate, C9H12N4S·H2O (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.
Reference Key
mokhtaruddin2015actacrystal Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Nur Shuhada Mohd Mokhtaruddin, Thahira Begum S. A. Ravoof, Mohamed Ibrahim Mohamed Tahir, Edward R. T. Tiekink
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Journal Disability and rehabilitation
Year 2015
DOI
10.1107/S2056989015005034
URL
http://scripts.iucr.org/cgi-bin/paper?S2056989015005034
Keywords
crystal structure hydrogen bonding

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