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Abstract
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.
Highlights
Mouad Filali,a* Hicham Elmsellem,b Tuncer Hokelek,c Abdelkrim El-Ghayoury,d Oleh Stetsiuk,d El Mestafa El Hadramia and Abdessalam Ben-Tamaa
C27H30N4O6ÁH2O, the two dioxolo rings are in envelope conformations, while the pyran ring is in a twisted-boat conformation
The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from HÁ Á ÁH (55.7%), HÁ Á ÁC/ CÁ Á ÁH (14.6%), HÁ Á ÁO/OÁ Á ÁH (14.5%) and HÁ Á ÁN/NÁ Á ÁH (9.6%) interactions
Summary
Given their importance in the pharmaceutical, chemical and industrial fields, the synthesis of 3,6-di(pyridin-2-yl)pyridazine and its derivatives has been a goal of chemists in recent years. 5-[3,6-Di(pyridin-2-yl)pyridazine-4-yl]-20-deoxyuridine-50-Otriphosphate can be used as a potential substrate for fluorescence detection and imaging of DNA (Kore et al, 2015). Given their importance in the pharmaceutical, chemical and industrial fields, the synthesis of 3,6-di(pyridin-2-yl)pyridazine and its derivatives has been a goal of chemists in recent years. 5-[3,6-Di(pyridin-2-yl)pyridazine-4-yl]-20-deoxyuridine-50-Otriphosphate can be used as a potential substrate for fluorescence detection and imaging of DNA (Kore et al, 2015) Systems containing this moiety have shown remarkable corrosion inhibitory (Khadiri et al, 2016). Heterocyclic molecules such as 3,6-bis (20-pyridyl)-1,2,4,5-tetrazine have been used in transition-metal chemistry (Kaim & Kohlmann, 1987). We report the synthesis and the molecular and crystal structures of the title compound, (I), along with the Hirshfeld surface analysis and its corrosion inhibition properties
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