Bis(3-acetyl-6-methyl-2-oxo-2H-pyran-4-olato)bis­(dimethyl sulfoxide)nickel(II)

In the title compound, [Ni(C8H7O4)2{(CH3)2SO}2], the NiII atom is located on a crystallographic centre of symmetry and has a distorted octa­hedral coordination geometry of type MO6. The bidentate dehydro­acetic acid (DHA) ligands occupy the equatorial plane of the complex in a trans configuration, and the dimethyl sulfoxide (DMSO) ligands are weakly coordinated through their O atoms in the axial positions

Synthesis, X-ray crystal structures, electrochemistry and theoretical investigation of a tetradentate nickel and copper Schiff base complexes

International audienceNew tetradentate mononuclear nickel(II) [NiL] and pentadentate binuclear copper(II) [Cu 2 L 2 H 2 O], H 2 O Schiff base complexes have been synthesized. The crystal structures of [NiL] and [Cu 2 L 2 H 2 O], H 2 O have been determined by X-ray diffraction method showing distorted square-planar geometry for [NiL] and distorted tetragonal pyramid geometry for [Cu 2 L 2 H 2 O], H 2 O. In both complexes, the dehydroacetic acid functional group engages in a deprotonated manner and coordination occurs through the nitrogen atoms of the imine function and the phenolic oxygen. Density Functional Theory calculations are carried out for the determination of the optimized structures. The fundamental vibrational wave numbers are calculated and a good agreement between observed and calculated wave numbers is achieved

(E)-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylidene)ethyl]-2H-pyran-2-one

The title compound, C14H14N2O3, crystallized with three crystallographically independent molecules (A, B and C) in the asymmetric unit. The three molecules each have an E conformation about the C=N bond but differ in the orientation of the phenyl and pyran rings. The dihedral angles between the phenyl and pyran ring planes are 14.30 (1), 28.38 (1) and 25.58 (1)° in molecules A, B and C, respectively. There is an intramolecular O—H...N hydrogen bond in each molecule with an S(6) ring motif. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming layers parallel to (001), enclosing R22(8) and R33(21) ring motifs. The layers are linked via C—H...π interactions, forming bilayers, which are joined by a further C—H...π interaction, forming a three-dimensional structure

4-Hydroxy-6-methyl-3-[3-(thiophen-2-yl)acryloyl]-2H-pyran-2-one

The title compound, C13H10O4S, crystallizes with two molecules in the asymmetric unit in which the rings make dihedral angles of 3.9 (1) and 6.0 (1)°; this planarity is due in part to the presence of an intramolecular O—H...O hydrogen bond, which generates an S(6) ring in each molecule. Both molecules represent E isomers with respect to the central C=C bond. In the crystal, molecules are linked by C—H...O interactions into a three-dimensional network