Synthesis, crystal structure, and <i>in silico</i> mol-ecular docking studies of 4-hy-droxy-3,5-di-meth-oxy-benzaldehyde (6-chloro-pyridazin-3-yl)hydrazone monohydrate.
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ABSTRACT: In the title compound, C13H13ClN4O3·H2O, the organic mol-ecule has an E configuration with regard to the C=N bond of the hydrazone bridge. The phenyl and pyridazine rings subtend a dihedral angle of 2.1 (1)° between their mean planes, while the hydrazone moiety makes dihedral angles of 1.6 (2) and 3.0 (2)°, respectively, with these aromatic rings. This renders the entire mol-ecule comparably flat. A C-H⋯N hydrogen bond generates an inversion dimer with a large R 2 2(14) ring motif. Within this ring, a further C-H⋯N hydrogen bond establishes a smaller R 2 2(8) ring. The mol-ecules of a dimer are thereby firmly linked by four hydrogen bonds. A bifurcated O-H⋯(O,O) hydrogen
SUBMITTER: Ummer MR
PROVIDER: S-EPMC11974334 | biostudies-literature | 2025 Apr
REPOSITORIES: biostudies-literature
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