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Crystal structure of (E)-2-[3-(tert-but-yl)-2-hy-droxy-benzyl-idene]-N-cyclo-hexyl-hydrazine-1-carbo-thio-amide.

Md Azharul ArafathHuey Chong KwongFarook AdamMohd R Razali
Published in: Acta crystallographica. Section E, Crystallographic communications (2018)
In the title compound, C18H27N3OS, the cyclo-hexane ring has a chair conformation. The azomethine C=N double bond has an E configuration. The nearly planar hydrazinecarbo-thio-amide moiety and substituted benzene ring are twisted by 31.13 (5)° relative to each other. The amide moiety and the cyclo-hexane ring are almost perpendicular to each other; a similar conformation was previously observed in reported structures. In the crystal, mol-ecules are linked by N-H⋯S hydrogen bonds, forming inversion dimers with an R 2 2(8) ring motif.
Keyphrases
  • molecular dynamics simulations
  • molecular docking
  • crystal structure
  • magnetic resonance
  • transition metal
  • solid state