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The title compound, C11H9NO3, contains an isoxazole and a hydroxybenzylidene ring, which are inclined to each another by 3.18 (8)°. There is an intramolecular C—H...O contact forming an S(7) ring. In the crystal, molecules stack head-to-tail in columns along the b-axis direction, linked by offset π–π interactions [intercentroid distances of 3.676 (1) and 3.723 (1) Å]. The columns are linked by O—H...O and O—H...N hydrogen bonds, forming layers parallel to the ab plane. The layers are linked by C—H...O hydrogen bonds, forming a supramolecular three-dimensional framework. An analysis of the Hirshfeld surfaces points to the importance of the O—H...O and O—H...N hydrogen bonding in the packing mechanism of the crystal structure.

N-(2-{[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide (HL) and its Co(II), Fe(III), Cu(II) and Zn(II) perchlorate complexes were synthesized. The structures of HL and its complexes were confirmed on the basis of elemental analysis and FT-IR, FT-Raman, 1H-NMR spectra. TGA, magnetic moment and molar conductivity measurements were carried out for the complexes. In addition, the crystal structure of HL was determined by X-ray diffraction at room temperature. It crystallizes in the monoclinic, space group C2/c and Z=4. HL has an interesting structure due to the presence of two intramolecular hydrogen bonds. It behaves as a bidentate ligand through the C=N nitrogen and OH oxygen atoms in its chelate complexes that they have 1:2 M:L (metal:ligand) ratio. The Fe(III), Cu(II) and Zn(II) complexes, [Fe(HL)(L)(H2O)2](ClO4)2, [Cu(HL)2](ClO4)2∙3H2O, [Zn(HL)2](ClO4)2·H2O are 2:1 electrolytes whereas the Co(II) complex, [Co(HL)(L)(H2O)]ClO4·H2O, is 1:1 electrolyte according to the molar conductivity data.

The title compound, C11H9NO3, contains an isoxazole and a hydroxybenzylidene ring, which are inclined to each another by 3.18 (8)Å. There is an intramolecular C-H...O contact forming an S(7) ring. In the crystal, molecules stack head-to-tail in columns along the b-axis direction, linked by offset π-π interactions [intercentroid distances of 3.676 (1) and 3.723 (1) Å ]. The columns are linked by O-H...O and O-H...N hydrogen bonds, forming layers parallel to the ab plane. The layers are linked by C-H...O hydrogen bonds, forming a supramolecular three-dimensional framework. An analysis of the Hirshfeld surfaces points to the importance of the O-H...O and O-H...N hydrogen bonding in the packing mechanism of the crystal structure. [ABSTRACT FROM AUTHOR]

N-(2-{[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide (HL) and its Co(II), Fe(III), Cu(II) and Zn(II) perchlorate complexes were synthesized. The structures of HL and its complexes were confirmed on the basis of elemental analysis and FT-IR, FT-Raman, ¹H-NMR spectra. TGA, magnetic moment and molar conductivity measurements were carried out for the complexes. In addition, the crystal structure of HL was determined by X-ray diffraction at room temperature. It crystallizes in the monoclinic, space group C2/c and Z=4. HL has an interesting structure due to the presence of two intramolecular hydrogen bonds. It behaves as a bidentate ligand through the C=N nitrogen and OH oxygen atoms in its chelate complexes that they have 1:2 M:L (metal:ligand) ratio. The Fe(III), Cu(II) and Zn(II) complexes, [Fe(HL)(L)(H2O)2](ClO4)2, [Cu(HL)2](ClO4)2·3H2O, [Zn(HL)2](ClO4)2·H2O are 2:1 electrolytes whereas the Co(II) complex, [Co(HL)(L)(H2O)]ClO4·H2O, is 1:1 electrolyte according to the molar conductivity data. [ABSTRACT FROM AUTHOR]

Spectroscopic analysis, density functional theory (DFT) studies and surface enhanced Raman scattering (SERS) of ( E )- N '-(5-chloro-2-hydroxybenzylidene)-4-trifluoromethyl) benzohydrazide (CHTB) have been studied on different silver colloids in order to know the particular chemical species responsible for the spectra. Very significant shifts are observed for Raman and SERS wavenumbers. Observed changes in the υ-ring modes may be due to surface interaction of the π-electrons and the presence of this suggested that RingII is more tilted in both cases than RingI and the molecule assumes a tilted orientation for the concentration 10 -3 M. Orientation changes are seen in concentration dependent SERS spectra. The molecular electrostatic potential has also been constructed to determine the electron rich and poor site of CHTB. The molecular docking studies indicate that the binding affinity and hydrogen bond interactions with the receptors may be supporting evidence for further studies in designing other pharmaceutical applications of CHTB.Communicated by Ramaswamy H. Sarma.