Synthesis and X-ray structure analysis of benzoic acid [1-(6-methyl-2,4-dioxo-3,4-dihydro-2H-pyran-3-yl)eth-(E)-ylidene]-hydrazide with a water molecule (C₁₅H₁₄N₂O₄⋅H₂O)

Abstract

The crystal structure of the title compound has been determined by X-ray diffraction methods. It crystallizes in the monoclinic space group P2₁/n with cell parameters a = 7.097(1) Å, b = 19.257(1) Å, c = 10.893(1) Å, β = 106.17(2)^∘, V = 1429.8(3) ų and Z = 4. The final reliability index is 0.059 for 2419 observed reflections. The molecule comprises of two six- membered rings which are abridged together through a network of C–N, N–N and C–N bonds. There are three keto functional groups and two methyl groups at various locations of the molecule. The C9 atom of methyl group and O2 of the keto group are deviated significantly from the mean plane of the molecule. Both the six-membered rings are planar and it is evident from the magnitude of their exocyclic torsion angles. The molecular structure is stabilized by few intra and intermolecular hydrogen bonds.