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Crystal structure and Hirshfeld surface analysis of 3,3',3''-[(1,3,5-triazine-2,4,6-tri-yl)tris-(-oxy)]tris-(5,5-di-methyl-cyclo-hex-2-en-1-one).

Zeliha AtioğluMehmet AkkurtFlavien A A TozeGunay Z MammadovaHumay M Panahova
Published in: Acta crystallographica. Section E, Crystallographic communications (2018)
The three cyclo-hexenone rings of the title compound, C27H33N3O6, adopt slightly distorted envelope conformations, with the C atom bearing two methyl groups as the flap atom in each case. These cyclo-hexenone mean planes form dihedral angles of 87.41 (11), 70.73 (11) and 70.47 (11)° with the 1,3,5-triazine ring, while the dihedral angle between the cyclo-hexenone mean planes are 57.52 (12), 23.75 (12) and 53.21 (12)°. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming a three-dimensional network.
Keyphrases
  • crystal structure
  • molecular dynamics
  • high resolution
  • solid phase extraction
  • electron transfer
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