An unexpected single crystal structure of nickel(II) complex: Spectral, DFT, NLO, magnetic and molecular docking studies.

This work explores the study of a synthesized nickel complex as a possible inhibitor against the main protease (Mpro) of the recent emerging coronavirus disease (COVID-19). Overall, the template reaction of 3-acetyl-2-hydroxy-6-methyl-4-pyran-4-one with nickel(II) chloride hexahydrate in -dimethylformamide (DMF) medium leads to the formation of neutral nickel complex. This resulting complex is formulated as [Ni(DHA)(DMF)] on the basis of FT-IR, UV-Vis.

Bis[μ-(3-acetyl-2-hy-droxy-6-methyl-4H-pyran-4-one-κ(3)O:O',O'')]diaqua-tetra-kis-(pyridine-κN)dicopper(II) diperchlorate.

In the centrosymmetric binuclear cation of the title compound, [Cu(C(8)H(7)O(4))(H(2)O)(C(5)H(5)N)(2)](2)(ClO(4))(2), the Cu(II) atoms are bridged by a pair of two dehydro-acetate anions in a bis-/monodentate mode. The distorted octa-hedral N(2)O(4) coordination sphere of the metal cation is completed by two pyridine N atoms and one O atom of a water mol-ecule. The complex cations and the perchlorate counter anions are arranged in layers parallel to (100).

(Ethyl-enediamine-κ(2)N,N')bis-(perchlorato-κO)bis-(pyridine-κN)copper(II).

In the title compound, [Cu(ClO(4))(2)(C(2)H(8)N(2))(C(5)H(5)N)(2)], the Cu(II) cation is located on a twofold rotation axis and is coordinated by four N and two O atoms in a tetragonally distorted octahedral geometry. The crystal packing can be described as ClO(4) tetra-hedra and CuN(4)O(2) octa-hedra alternating in a zigzag fashion along the c axis. The structure is stabilized by intermolecular N-H⋯O and C-H⋯O hydrogen bonds, as well as π-π interactions [centroid-centroid distance = 3.

1-{2-Hy-droxy-6-[3-(pyrrol-1-yl)prop-oxy]phen-yl}ethanone.

In the title compound, C(15)H(17)NO(3), the mean planes of the pyrrole and benzene rings form a dihedral angle of 81.92 (7)°. The mol-ecule contains an intra-molecular O-H⋯O hydrogen bond.

catena-Poly[[[(pyridine-κN)copper(II)]-μ-3-{1-[(2-amino-eth-yl)imino]-eth-yl}-6-methyl-2-oxo-2H-pyran-4-olato-κN,N,O:O] perchlorate].

In the title compound, {[Cu(C(10)H(13)N(2)O(3))(C(5)H(5)N)]ClO(4)}(n), the Cu(II) atom has an N(3)O(2) coordination sphere. The complex contains two different ligands, viz. a pyridine mol-ecule and a Schiff base mol-ecule, resulting from the condensation of ethyl-enodiamine with dehydro-acetic acid.

A novel in vitro preparation: the intact hippocampal formation.

The intact hippocampal formation (IHF) of neonatal or young rats can be kept alive for an extended period in a fully submerged chamber with excellent morphological preservation. Field or patch-clamp recordings, intracellular Ca2+ measurements, and 3-D reconstruction of biocytin-filled neurons can be performed routinely. The generation and propagation of network-driven activities can be studied within the IHF or between connected intact structures such as the septum and the hippocampus or two hippocampi, and the use of a dual chamber enables the application of drugs separately to each structure.