Crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarba-zone monohydrate

Nur Shuhada Mohd Mokhtaruddin, Thahira Begum S A Ravoof, Mohamed Ibrahim Mohamed Tahir*, Edward R T Tiekink, W. T A Harrison (Editor)

*Corresponding author for this work

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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.

Original languageEnglish
Pages (from-to)o253-o254
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Issue number4
Early online date25 Mar 2015
Publication statusPublished - 1 Apr 2015


  • Crystal structure
  • Hydrogen bonding
  • Thiosemicarbazone


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