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Crystal structure of (E)-4-benzyl-idene-6-phenyl-1,2,3,4,7,8,9,10-octa-hydro-phenanthridine.

Baidaa K Al-RubayeAlice BrinkGary J MillerJohannes Herman PotgieterMohamad J Al-Jeboori
Published in: Acta crystallographica. Section E, Crystallographic communications (2017)
The preparation of the title compound, C26H25N, was achieved by the condensation of an ethano-lic mixture of benzaldehyde, cyclo-hexa-none and ammonium acetate in a 2:1:1 molar ratio. There are two crystallographically independent mol-ecules in the asymmetric unit. The two cyclo-hexyl rings adopt an anti-envelope conformation with the benzyl moiety adopting a cis conformation with respect to the nitro-gen atom of the phenanthridine segment. In the crystal, mol-ecules are linked through C-H⋯N inter-actions into hydrogen-bonded chains that are further arranged into distinct layers by weak offset π-π inter-actions.
Keyphrases
  • molecular dynamics simulations
  • crystal structure
  • solid state
  • molecular dynamics
  • ionic liquid
  • molecularly imprinted
  • solar cells
  • solid phase extraction