IUCrData (Sep 2016)

(E)-2-[(2-Butyl-4-chloro-1H-imidazol-5-yl)methylidene]-N-methylhydrazine-1-carbothioamide monohydrate

  • Sreenath Reddy Aabaka,
  • Sarala Yaaratha,
  • L. Sivarama Krishna,
  • Samar K. Das,
  • Varada Reddy Ammireddy

DOI
https://doi.org/10.1107/S2414314616015145
Journal volume & issue
Vol. 1, no. 9
p. x161514

Abstract

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The title thiosemicarbazide derivative, C10H16ClN5S·H2O, crystallized as a monohydrate. The molecule has an E conformation about the azomethine C=N bond that links the methylhydrazine-1-carbothioamide moiety to the imidazole ring. The butyl chain substituent on the imdazole ring is disordered over two sets of sites, with a refined occupancy ratio of 0.509 (9):0.491 (9). In the crystal, molecules are linked by O—H...N and N—H...O hydrogen bonds involving the solvent water molecule, forming chains along the c-axis direction. The chains are linked by O—H...S and N—H...S hydrogen bonds, forming a three-dimensional framework.

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