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(Z)-1-(2-Chloro-phen-yl)-3-methyl-4-[2-(4-nitro-phen-yl) hydrazin-1-yl-idene]-1H-pyrazol-5(4H)-one

  • Carlos Bustos
  • , Andrés Escobar-Fuentealba
  • , Luis Alvarez-Thon
  • , Rodrigo Faundez-Gutierrez
  • , Maria Teresa Garland

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C16H12ClN5O3. The relative orientations of the chloro-phenyl ring with respect to the pyrazole ring in the two crystallographically independent mol-ecules are different, and their corresponding dihedral angles are-53.3 (2) and 114.09 (18)°in mol-ecules A and B, respectively. There are two strong intramolecular N-H⋯O hydrogen bonds, and two weak intramolecular C-H⋯O and C-H⋯Cl hydrogen bonds. The crystal packing is constructed by weak C-H⋯O and N-H⋯O inter-actions, and two π-π stacking inter-actions [centroid-centroid distances = 3.7894 (9) and 3.5719 (10) Å], forming a mol-ecular ladder along the a axis.

Original languageEnglish
Pages (from-to)o2351-o2352
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number8
DOIs
StatePublished - Aug 2012
Externally publishedYes

Keywords

  • R factor = 0.039
  • T = 150 K
  • data-to-parameter ratio = 14.0
  • mean σ(C-C) = 0.003 Å
  • single-crystal X-ray study
  • wR factor = 0.097

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