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-TetraMethylTetraHydro-5H-Bis[1,3]Dioxolo[4,5-B:4′,5′-D]Pyran-5-Yl)MethOxy]MethYl}Pyridazine Monohydrate
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Tarih
2019Yazar
Filali, Mouad
Elmsellem, Hicham
Hökelek, Tuncer
El-Ghayoury, Abdelkrim
Stetsiuk, Oleh
El Hadrami, El Mestafa
Ben-Tama, Abdessalam
Üst veri
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The title compound is built up by two dioxolo, two pyridine, one pyridazine and one pyran rings. The two dioxolo rings are in envelope conformations, while the pyran ring is in 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, C—Hdioxolo⋯Odioxolo, O—Hwater⋯Opyran, O—Hwater⋯Omethoxymethyl and O—Hwater⋯Npyridazine hydrogen bonds link the molecules into a supramolecular structure. A weak C—Hmethoxymethyl⋯π interaction is also observed., 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⋯Omethoxymethyl and O—Hwater⋯Npyridazine hydrogen bonds link the molecules into chains along [010]. In addition, weak C—Hdioxolo⋯Odioxolo hydrogen bonds and a weak C—Hmethoxymethyl⋯π interaction 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%) interactions. Hydrogen-bonding and van der Waals interactions are the dominant interactions in the crystal packing. Electrochemical measurements are also reported.
Bağlantı
http://dx.doi.org/10.1107/S2056989019009848https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690445/
http://hdl.handle.net/11655/24430