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
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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