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Molecular structures of compounds 5-ethyl-4-(4-methoxyphenethyl)-4,5-dihydro-3H-1,2,4-triazol-3-one, (C13H17N3O2) (I) and 4-(4-methoxyphenethyl)-5-propyl-4,5-dihydro-3H-1,2,4-triazol-3-one, (C14H19N3O2) (II) were studied by single crystal X-ray diffraction. Molecular compound I crystallizes in the monoclinic space group P2(1) with Z = 2, while molecular compound II crystallizes in the monoclinic space group P2(1)/c with Z = 4. The molecular geometries of the compounds I and II were optimized using computational quantum mechanical methods: the density functional theory and the Hartree-Fock approximation. Theoretical values of bond lengths, bond angles, and torsion angles were obtained using the BL3YP functional and the 6-31G+(d) basis. The results show that theoretical values are consistent with experimental values.

In the present study a microwave-assisted one-pot method was applied for the synthesis of 18 novel condensed 1,4-dihydropyridines carrying the indole moiety. The compounds were achieved by the reaction of appropriate 1,3-cyclohexanedione, substituted indole carboxaldehyde derivative, alkyl acetoacetate and ammonium acetate in methanol, according to a modified Hantzsch reaction. The structure elucidation of the compounds was carried out by spectral methods including X-ray studies. Their spasmolytic activities through calcium channel blockade were assayed on isolated rat ileum. The obtained results indicated that the introduction of the brom atom on the indole ring altered the mentioned activity positively.

The title complex, [Tl(C34H53O8)](n), forms a pseudo individual monomer complex, in which the anionic oxygen of carboxylate group serves to neutralise the charge of Tl+, the other five O centres of the first lasalocid anionic ligand (Lasa 1) and in which this ligand is pentadentate O-ligand and bonded to a second Tl centre by using phenyl-metal coordination. A second lasalocid ligand (Lasa 2) is also pentadentate O-ligand and bridges the first Tl centre within the polymer. The monomeric unit is stabilized by strong intramolecular aryl-Tl type-metal half sandwich bonding interactions.

The title complex, [Sr(C68H106O16)(H2O)], forms a pseudo-centrosymmetric monomer complex, in which one aquo (or water) ligand bridges three O centres of the first lasalocid anionic ligand (Lasa 2) and in which this ligand is tridentate and bonded to just one Sr atom, and the other lasalocid ligand (Lasa 1) is pentadentate and bridges the Sr centre within the monomer. The monomeric unit is stabilized by intramolecular C-H center dot center dot center dot O and O-H center dot center dot center dot O type-hydrogen bonding interactions.

We report herein the design and synthesis of 17 new spiroheterocycles 10-26, on the basis of two hypothetical pharmacophore structures designed to interact with both of Mycobacterium tuberculosis bacteria and HIV-1 virus. The in vitro biological evaluation of these compounds allowed us to point out seven new potential non-nucleoside hits, with MIC values in the range of 6.25 mu g/mL and two new potential anti-HIV-1 inhibitors.

In the title compound, C18H12F3NO2, the planes of the benzene ring and the naphthalene system form a dihedral angle of 47.21 (3)°. The hydroxy group is involved in an intramolecular O—H...N hydrogen bond. In the crystal, weak C—H...O and C—H...F interactions link the molecules related by translations along thecandaaxes, respectively, into sheets.