Metamagnetism and canted antiferromagnetic ordering in two monomeric Co complexes with 1-(2-pyrimidyl)piperazine. Hirshfeld surface analysis and theoretical studies.

Here we present the magnetic properties of two cobalt complexes formulated as: [Co(SCN)(L)] (1) and (HL)[Co(SCN)]·HO (2) (L = 1-(2-pyrimidyl)piperazine). The two compounds contain isolated tetrahedral Co complexes with important intermolecular interactions that lead to the presence of a canted antiferromagnetic order below 11.5 and 10.

Self-assembly of new cobalt complexes based on [Co (SCN)], synthesis, empirical, antioxidant activity, and quantum theory investigations.

The cobalt (II) complexes have been synthesized from the reaction of the cationic entities (3,4-dimethylaniline (1) and histamine (2)) with metallic salt CoCl⋅6HO and thiocyanate ion (SCN) as a ligand in HO/ethanolic solution and processing by the evaporation crystal growth method at room temperature to get crystals. The synthesized complex has been fully characterized by single-crystal X-ray diffraction. UV-Visible, FTIR spectroscopy, TGA analysis, and DFT circulations were also performed.

Biocompatible conjugated fluorenylporphyrins for two-photon photodynamic therapy and fluorescence imaging.

The photophysical properties of a new series of fluorenyl porphyrins bearing water-solubilising oligoethyleneglycol chains are described. These biocompatible compounds present very good two-photon absorption and singlet oxygen generation properties, while retaining some fluorescence in water. After testing in vitro on breast cancer cells, some of them were shown to be efficient non-toxic two-photon photosensitisers allowing for fluorescence imaging, thus demonstrating their theranostic potential.

Molecular structure, spectroscopic, dielectric and thermal study, nonlinear optical properties, natural bond orbital, HOMO-LUMO and molecular docking analysis of (CClO) (CHNF)·2HO.

A new chloranilate compound with 1-(2-fluorophenyl)piperazine has been synthesized and characterized using spectroscopic methods and X-ray diffraction. The atomic arrangement can be described by an H-bonded 3D network, formed by anionic entities, organic cations and HO molecules linked together via NH…O, OH…Cl, CH…Cl and CH…O hydrogen bonds. The vibrational absorption bands of the various characteristic groups of this compound have been identified by infrared spectroscopy.

4-Chloro-anilinium hydrogen oxalate hemihydrate.

In the title hydrated mol-ecular salt, C(6)H(7)ClN(+)·C(2)HO(4) (-)·0.5H(2)O, the water O atom lies on a crystallographic twofold axis. In the crystal, the anions are linked by O-H⋯O hydrogen bonds, forming chains propagating along the b axis.

2,5-Dimethyl-anilinium nitrate.

In the title salt, C(8)H(12)N(+)·NO(3) (-), all non-H atoms of the cation lie on mirror planes. The nitrate counteranion has m symmetry and acts as a hydrogen-bond acceptor of N-H⋯O hydrogen bonds, connecting the cations and anions into layers running parallel to the ab plane.

Bis(2,5-dimethyl-anilinium) tetra-chlorido-zincate(II).

In the title compound, (C(8)H(12)N)(2)[ZnCl(4)], the Zn(2+) ion adopts a distorted tetra-hedral coordination geometry. In the crystal, the cations and anions are linked by N-H⋯Cl hydrogen bonds, leading to ribbons propagating parallel to the a axis.

2,5-Dimethyl-anilinium chloride monohydrate.

In the title compound, C(8)H(12)N(+)·Cl(-)·H(2)O, the crystal packing is influenced by O-H⋯Cl, N-H⋯Cl and N-H⋯O hydrogen bonds, resulting in a two-dimensional network propagating parallel to (001).

2,6-Dimethyl-anilinium chloride monohydrate.

In the title hydrated mol-ecular salt, C(8)H(12)N(+)·Cl(-)·H(2)O, the component species inter-act by way of N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds, resulting in a three-dimensional network.