Crystal structure, Hirshfeld surface analysis and DFT study of (5,5',6,6')-6,6'-[ethane-1,2-diyl-bis(aza-nylyl-idene)]bis-{5-[2-(4-fluoro-phen-yl)hydra-zono]-3,3-di-methyl-cyclo-hexa-none} 2.5-hydrate.

The title compound, CHFNO·2.5HO, was obtained by condensation of 2-[2-(4-fluoro-phen-yl)hydrazono]-5,5-di-methyl-cyclo-hexan-1,3-dione with ethyl-enedi-amine in ethanol and crystallized as a 1:2.5 hydrate in space group 2/.

Crystal structure and Hirshfeld surface analysis of [2-(1-benzimidazol-2-yl-κ )aniline-κ]di-chlorido-zinc(II) ,-di-methyl-formamide monosolvate.

The title compound, [ZnCl(CHN)]·CHNO, crystallized in the monoclinic crystal system in space group 2/. The asymmetric unit contains one neutral complex mol-ecule, which consists of a zinc ion, a bidentate ligand, and two chlorido ligands with di-methyl-formamide monosolvate. The ligand has two moieties, a benzimidazole and an aniline group.

Synthesis and structural characterization of hexa-μ-chlorido-μ-oxido-tetra-kis-{[4-(phenyl-ethyn-yl)pyridine-κ]copper(II)} di-chloro-methane monosolvate.

In the crystal structure of the title compound, [CuClO(CHN)]·CHCl, the core mol-ecular structure consists of a Cu tetra-hedron with a central inter-stitial O atom. Each edge of the Cu tetra-hedron is bridged by a chlorido ligand. Each copper(II) cation is coordinated to the central O atom, two chlorido ligands and one atom of the 4-phenyl-ethynyl-pyridine ligand.

Crystal structure, Hirshfeld surface analysis and DFT studies of ()-4-methyl-2-{[(2-methyl-3-nitro-phen-yl)imino]-meth-yl}phenol.

The title compound, CHNO, was prepared by condensation of 2-hy-droxy-5-methyl-benzaldehyde and 2-methyl-3-nitro-phenyl-amine in ethanol. The configuration of the C=N bond is . An intra-molecular O-H⋯N hydrogen bond is present, forming an (6) ring motif and inducing the phenol ring and the Schiff base to be nearly coplanar [C-C-N-C torsion angle of 178.

Crystal structure, Hirshfeld surface analysis and DFT studies of 4-methyl-2-({[4-(tri-fluoro-meth-yl)phen-yl]imino}-meth-yl)phenol.

The title compound, CHFNO, crystallizes with one mol-ecule in the asymmetric unit. The configuration of the C=N bond is and there is an intra-molecular O-H⋯N hydrogen bond present, forming an (6) ring motif. The dihedral angle between the mean planes of the phenol and the 4-tri-fluoro-methyl-phenyl rings is 44.

Crystal structure, Hirshfeld surface analysis and DFT studies of ()-2-{[(3-chloro-4-methyl-phen-yl)imino]-meth-yl}-4-methyl-phenol.

The title compound, CHClNO, was synthesized by condensation reaction of 2-hy-droxy-5-methyl-benzaldehyde and 3-chloro-4-methyl-aniline, and crystallizes in the monoclinic space group 2/c. The 3-chloro-benzene ring is inclined to the phenol ring by 9.38 (11)°.

Synthesis, crystal structure at 219 K and Hirshfeld surface analyses of 1,4,6-tri-methyl-quinoxaline-2,3(1,4)-dione monohydrate.

The asymmetric unit of the title compound, CHNO·HO, contains a mol-ecule of 1,4,6-trimethyl-1,4-di-hydro-quinoxaline-2,3-dione and a solvent water mol-ecule. Four atoms of the benzene ring are disordered over two sets of sites in a 0.706 (7):0.

Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[(2-hy-droxy-5-methyl-benzyl-idene)amino]-benzo-nitrile.

The title compound, CHNO, was synthesized by condensation reaction of 2-hy-droxy-5-methyl-benzaldehyde and 2-amino-benzo-nitrile, and crystallizes in the ortho-rhom-bic space group . The phenol ring is inclined to the benzo-nitrile ring by 25.65 (3)°.

Crystal structure and Hirshfeld surface analysis of 2-{[(4-iodo-phen-yl)imino]-meth-yl}-4-nitro-phenol.

The title compound, CHINO, was synthesized by a condensation reaction between 2-hy-droxy-5-nitro-benzaldehyde and 4-iodo-aniline, and crystallizes in the ortho-rhom-bic space group 2. The 4-iodo-benzene ring is inclined to the phenol ring by a dihedral angle of 39.1 (2)°.

Crystal structure, Hirshfeld surface analysis and DFT studies of ()-4-methyl-2-{[(4-methyl-phen-yl)imino]-meth-yl}phenol.

In the title compound, CHNO, the configuration of the C=N bond of the Schiff base is , and an intra-molecular O-H⋯N hydrogen bond is observed, forming an intra-molecular (6) ring motif. The phenol ring is inclined by 45.73 (2)° from the plane of the aniline ring.

1,4-Disubstituted 1-1,2,3-Triazoles for Renal Diseases: Studies of Viability, Anti-Inflammatory, and Antioxidant Activities.

Inflammation is a hallmark of many metabolic diseases. We previously showed that ferrocene-appended 1-1,2,3-triazole hybrids inhibit nitric oxide (NO) production in in vitro models of lipopolysaccharide-induced inflammation in the BV-2 cell. In the present study, we explored the viability, anti-inflammatory, and antioxidant potential of ferrocene-1-1,2,3-triazole hybrids using biochemical assays in rat mesangial cells (RMCs).

Crystal structure and Hirshfeld surface analysis of 2-amino-3-hy-droxy-pyridin-1-ium 6-methyl-2,2,4-trioxo-2,4-1,2,3-oxa-thia-zin-3-ide.

The asymmetric unit of the title compound, CHNO·CHNOS, contains one cation and one anion. The 6-methyl-2,2,4-trioxo-2,4-1,2,3-oxa-thia-zin-3-ide anion adopts an envelope conformation with the S atom as the flap. In the crystal, the anions and cations are held together by N-H⋯O, N-H⋯N, O-H⋯O and C-H⋯O hydrogen bonds, thus forming a three-dimensional structure.

Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)meth-yl]amino}-benzoic acid.

In the mol-ecule of the title anthracene derivative, CHNO, the benzene ring is inclined to the mean plane of the anthracene ring system (r.m.s.

Crystal structure and the DFT and MEP study of 4-benzyl-2-[2-(4-fluoro-phen-yl)-2-oxoeth-yl]-6-phenyl-pyridazin-3(2)-one.

The title pyridazin-3(2)-one derivative, CHFNO, crystallizes with two independent mol-ecules ( and ) in the asymmetric unit. In mol-ecule , the 4-fluoro-phenyl ring, the benzyl ring and the phenyl ring are inclined to the central pyridazine ring by 86.54 (11), 3.

Crystal structure, DFT and MEP study of ()-2-[(2-hy-droxy-5-meth-oxy-benzyl-idene)amino]-benzo-nitrile.

The asymmetric unit of the title compound, CHNO, contains two crystallographically independent mol-ecules in which the dihedral angles between the benzene rings in each are 13.26 (5) and 7.87 (5)°.

Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-di-hydro-quinoline-4-carboxyl-ate.

In the title quinoline derivative, CHNO, the two benzyl rings are inclined to the quinoline ring mean plane by 74.09 (8) and 89.43 (7)°, and to each other by 63.

Crystal structure and DFT study of ()-2-chloro-4-{[2-(2,4-di-nitro-phen-yl)hydrazin-1-yl-idene]meth-yl}phenol aceto-nitrile hemisolvate.

The title Schiff base compound, CHClNO·0.5CHCN, crystallizes as an aceto-nitrile hemisolvate; the solvent mol-ecule being located on a twofold rotation axis. The mol-ecule is nearly planar, with a dihedral angle between the two benzene rings of 3.

Crystal structure of 4-(2-hy-droxy-3-meth-oxy-benzyl-amino)-benzoic acid di-methyl-formamide monosolvate monohydrate.

The title compound, CHNO·CHNO·HO, a secondary amine mol-ecule, is accompanied by one equivalent of water and one equivalent of di-methyl-formamide (DMF) as solvents. The mol-ecule is non-planar, with a C-CH-NH-C torsion angle of -66.3 (3)°.

Crystal structure and Hirshfeld surface analysis of ()-2-[1-hy-droxy-2-(pyridin-2-yl)eth-yl]-4-[2-(4-meth-oxy-phen-yl)diazen-1-yl]phenol.

In the title compound, CHNO, the configuration about the azo N=N bond is , and the central benzene ring is inclined to the pyridine ring by 31.43 (8)° and to the 4-meth-oxy-phenyl ring by 4.73 (8)°.

Crystal structure of 4-[(2-hy-droxy-3-meth-oxy-benz-yl)amino]-benzoic acid hemihydrate.

In the crystal of the title vanilline derivative, 2CHNO·HO, the secondary amine mol-ecule is accompanied by half equivalent of water. The mol-ecule is non-planar, with torsion angle C-CH-NH-C of -83.9 (2)°.

Crystal structure of 4-[(3-meth-oxy-2-oxidobenzyl-idene)azaniumyl]-benzoic acid methanol monosolvate.

In the crystal of the title compound, CHNO·CHOH, the Schiff base mol-ecule exists in the zwitterionic form; an intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular structure. The benzene rings are nearly co-planar, subtending a dihedral angle of 5.34 (2)°.

Crystal structure of bis-[()-2-(2-hy-droxy-benzyl-amino)-4-methyl-penta-noato-κ , ](1,10-phenanthroline-κ ,')cadmium dihydrate.

The asymmetric unit of the mononuclear mixed-ligand title complex, [Cd(CHNO)(CHN)]·2HO, contains two crystallographically independent mol-ecules that differ insignificantly in their geometrical parameters. In both, the Cd cation lies on a twofold rotation axis and is coordinated in a distorted octa-hedral fashion to two monodeprotonated residues of the l-leucine-derived ligand ()-2-(2-hy-droxy-benzyl-amino)-4-methyl-penta-noic acid (), as well as to a 1,10-phenanthroline ligand in a κ ,' mode. The former coordinate in an ,-chelating mode, exhibiting a -,' mutual disposition.

Crystal structure of ()-2,6-dimeth-oxy-4-{[(4-meth-oxy-phen-yl)imino]-meth-yl}phenol.

In the title compound, CHNO, the dihedral angle between benzene rings is 72.7 (2)°. The meth-oxy groups are rotated by 2.

Structural characterization and DFT study of bis-{()-2-[(2-hy-droxy-benz-yl)amino]-3-(4-hy-droxy-phen-yl)propano-ato-κ,}(1,10-phenanthroline-κ,')cadmium(II) tetra-hydrate.

In the title compound, [Cd(CHO)(CHN)]·4HO, the Cd ion lies on a twofold rotation axis and is chelated by two monodeprotonated residues of the l-tyrosine-derived ligand ()-2-[(2-hy-droxy-benz-yl)amino]-3-(4-hy-droxy-phen-yl)propanoic acid () in a κ, amino acid chelating mode, exhibiting an (,')- disposition, and by 1,10-phenanthroline in a κ,' mode. The latter ligand is also located about the twofold rotation axis that bisects the central six-members ring. The phenolic groups remain protonated and non-coordinating and take part as acceptors in the intra-molecular hydrogen bonds with the amino groups of the acido ligands.

Crystal structure and DFT study of ()-4-[({4-[(pyri-din-2-yl-methyl-idene)amino]-phen-yl}amino)-meth-yl]phenol.

In the title Schiff base compound, CHNO, the configuration about the C=N bond is . The mol-ecule is non-planar, with the phenolic and pyridine rings being inclined to the central benzene ring by 56.59 (4) and 15.