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Crystal structure, Hirshfeld surface analysis and corrosion inhibition study of 3,6-bis-(pyridin-2-yl)-4-{[(3aS,5S,5aR,8aR,8bS)-2,2,7,7-tetra-methyl-tetra-hydro-5H-bis-[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)meth-oxy]meth-yl}pyridazine monohydrate.

Mouad FilaliHicham ElmsellemTuncer HökelekAbdelkrim El-GhayouryOleh StetsiukEl Mestafa El HadramiAbdessalam Ben-Tama
Published in: Acta crystallographica. Section E, Crystallographic communications (2019)
In the title compound, C27H30N4O6·H2O, the two dioxolo rings are in envelope conformations, while the pyran ring is in a twisted-boat conformation. The pyradizine ring is oriented at dihedral angles of 9.23 (6) and 12.98 (9)° with respect to the pyridine rings, while the dihedral angle between the two pyridine rings is 13.45 (10)°. In the crystal, O-Hwater⋯Opyran, O-Hwater⋯Ometh-oxy-meth-yl and O-Hwater⋯Npyridazine hydrogen bonds link the mol-ecules into chains along [010]. In addition, weak C-Hdioxolo⋯Odioxolo hydrogen bonds and a weak C-Hmeth-oxy-meth-yl⋯π inter-action complete the three-dimensional structure. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (55.7%), H⋯C/C⋯H (14.6%), H⋯O/O⋯H (14.5%) and H⋯N/N⋯H (9.6%) inter-actions. Hydrogen-bonding and van der Waals inter-actions are the dominant inter-actions in the crystal packing. Electrochemical measurements are also reported.
Keyphrases
  • crystal structure
  • gold nanoparticles
  • solid state
  • molecularly imprinted