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.

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作者:Filali Mouad, Elmsellem Hicham, Hökelek Tuncer, El-Ghayoury Abdelkrim, Stetsiuk Oleh, El Hadrami El Mestafa, Ben-Tama Abdessalam
In the title compound, C(27)H(30)N(4)O(6)·H(2)O, 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-H(water)⋯O(pyran), O-H(water)⋯O(meth-oxy-meth-yl) and O-H(water)⋯N(pyridazine) hydrogen bonds link the mol-ecules into chains along [010]. In addition, weak C-H(dioxolo)⋯O(dioxolo) hydrogen bonds and a weak C-H(meth-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.

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