3,5-Dimethyl-4-[(E)-(2-nitrophenyl)diazenyl]-1-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole

Acta Crystallogr C. 2013 Jan;69(Pt 1):101-4. doi: 10.1107/S0108270112048573. Epub 2012 Dec 18.

Abstract

The title compound, C(17)H(10)F(5)N(5)O(2), is described and compared with its 4-nitrophenyl isomer [Bustos, Sánchez, Schott, Alvarez-Thon & Fuentealba (2007). Acta Cryst. E63, o1138-o1139]. The title molecule presents its nitro group split into two rotationally disordered components, which in conjunction with the rotation of the `unclamped' rings constitute the main molecular differences. Packing is directed by a head-to-tail type `I' C-F...F-C interaction, generating double-chain strips running along [100]. These substructures are interlinked by a variety of weak F...F, O...F, F...π and O...π interactions.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • Hydrocarbons, Fluorinated / chemistry*
  • Hydrogen Bonding
  • Molecular Structure
  • Nitro Compounds / chemistry*
  • Pyrazoles / chemistry*

Substances

  • 3,5-dimethyl-4-((E)-(2-nitrophenyl)diazenyl)-1-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole
  • Hydrocarbons, Fluorinated
  • Nitro Compounds
  • Pyrazoles