Key indicators: single-crystal X-ray study; T = 200 K; mean (C-C) = 0.002 Å; R factor = 0.041; wR factor = 0.122; data-to-parameter ratio = 17.1.In the title compound, C 12 H 14 N 3À , the mononitrate of protonated bis(pyridin-2-ylmethyl)amine, the least-squares planes defined by the non-H atoms of the two aromatic moieties intersect at an angle of 7.91 (6) . In the crystal, N-HÁ Á ÁN, N-HÁ Á ÁO and C-HÁ Á ÁN hydrogen bonds, as well as C-HÁ Á ÁO contacts, connect the entities into a three-dimensional network. The shortest centroid-centroid distance between two aromatic systems is 3.7255 (8) Å and is apparent between the two different aromatic moieties. Related literature ExperimentalCrystal data

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Copper(II) complexes of 2-(methylthiomethyl)anilines (1a–1f) have been obtained and characterized by elemental analyses, IR, electronic spectra, conductivity, and X-ray crystallography. The complexes (2a–2f) have the structural formula [CuCl2L] with the bidentate ligand coordinating through sulfur and nitrogen. The single crystal X-ray diffraction data reveal that the copper complex (2f) has a tetragonally distorted octahedral structure with long Cu–Cl equatorial bonds. Magnetic susceptibility measurements indicate the availability of one unpaired electron in the complexes and the conductivity measurements in DMF show their behaviour as nonelectrolytes. The solid reflectance spectra and the electronic spectra of the complexes in DMSO were determined. The ligands and their copper complexes were screened forin vitroantimicrobial activity againstS. aureus,B. subtilis,E. coli, andC. albicans. The methoxysubstituted complex (2c) showed more promising antibacterial activity againstS. aureusandB. subtilisthan other compounds at the concentration tested.

ABSTRACT. A mixed-ligand zinc(II) complex, [Zn(Hpma)(phen)Cl] (where Hpma– = N-(2,6-dimethylphenyl)oxamate and phen = 1,10-phenanthroline), has been prepared by the reaction of zinc chloride, ethyl (2,6-dimethylphenylcarbamoyl)formate (Hdmp) and 1,10-phenanthroline under basic conditions in dimethylformamide. The structure of the complex was characterised by elemental analysis, IR, 1H-NMR, UV-Vis absorption and X-ray crystallography. The metal complex crystallises in the monoclinic system (space group P21/c) and is composed of the five-coordinate zinc ion in a distorted spherical square pyramidal geometry. Stabilisation of single crystals occurs through hydrogen bonds and π-π stacking interactions.   KEY WORDS: Zinc(II), N-(2,6-Dimethylphenyl)oxamate, 1,10-Phenanthroline, Crystal    structure, Hydrogen bonding, π-π Stacking, Mixed-ligand Bull. Chem. Soc. Ethiop. 2023, 37(4), 891-900.                                                               DOI: https://dx.doi.org/10.4314/bcse.v37i4.7

ABSTRACT. Five new Schiff bases synthesized by the reaction between 2-(methylthio)aniline derivatives and p-methoxysalicylaldehyde are presented as  MtH-1 (R = H), MtH-2 (R = CH3), MtH-3 (R = OCH3), MtH-4 (R = Cl) and MtH-5 (R = Br). They were characterized by CHNS analyses, NMR (1H, 13C, DEPT135, COSY and HSQC), FTIR and UV-Vis spectroscopic techniques. FT-IR, elemental analyses and NMR data supported the formation of the Schiff bases, with the chemical shifts of azomethine and phenol protons showing sensitivity to ring substitution. The crystal structure of MtH-1 featured the alignment of the phenyl rings to each other and to the C=N group with dihedral angles >170o. The DFT calculations corroborated the bond lengths and angles of MtH-1. The HOMO-LUMO energies, dipole moments and other reactivity parameters were calculated. The methyl-substituted MtH-2 was the least polar of the compounds. With calculated energy band gaps of almost 4 eV, the compounds may have applications in the semiconductors field.   KEY WORDS: Schiff bases, p-methoxysalicylaldehyde, Crystal structure, Spectroscopic properties, DFT calculations   Bull. Chem. Soc. Ethiop. 2023, 37(3), 675-688.                                                          DOI: https://dx.doi.org/10.4314/bcse.v37i3.11