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Structural investigation of N-[2-(4-fluoro-3-phen-oxy-benzo-yl)hydrazinecarbo-thio-yl]benzamide and N-[2-(4-fluoro-3-phen-oxy-benzo-yl)hydrazinecarbo-thio-yl]-4-meth-oxy-benzamide.

Dhananjay DeyI ShrutiDeepak ChopraT P Mohan
Published in: Acta crystallographica. Section E, Crystallographic communications (2021)
The compound N-[2-(4-fluoro-3-phen-oxy-benzo-yl)hydrazinecarbo-thio-yl]benzamide, C21H16FN3O3S, crystallizes in the monoclinic centrosymmetric space group P21/c and its mol-ecular conformation is stabilized via an intra-molecular N-H⋯O hydrogen bond. The corresponding para-meth-oxy derivative, namely, N-[2-(4-fluoro-3-phen-oxy-benzo-yl)hydrazinecarbo-thio-yl]-4-meth-oxy-benzamide, C22H18FN3O4S, crystallizes in the monoclinic centrosymmetric space group C2/c. The supra-molecular network mainly comprises N-H⋯O, N-H⋯S and C-H⋯O hydrogen bonds, which contribute towards the formation of the crystal structures for the two mol-ecules. The different inter-molecular inter-actions have been further analysed using Hirshfeld surface analysis and fingerprint plots.
Keyphrases
  • positron emission tomography
  • crystal structure
  • single molecule
  • molecular dynamics simulations