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.

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-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 surfa

SUBMITTER: Filali M 

PROVIDER: S-EPMC6690445 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature