The complexation reaction of Co2+ (M) and the 1,1-diethyl-3-(4-methoxybenzoyl)thiourea (L) ligand in the binary mixtures: acetonitrile-dimethylsulfoxide (MeCN-DMSO), acetonitrile-dichloromethane (MeCN-DCM), water-dimethylsulfoxide (H2O-DMSO) and acetonitrile-water (MeCN-H2O), was investigated using a conductometric method at temperatures of (288.15, 298.15, 308.15 and 318.15) K. In all cases, the conductance data showed that the stoichiometry of the neutral complex formed between M and L is 1:3 [M:3L], which indicates that the Co2+ ion was oxidized to Co3+ during the reaction. The best estimate of the stability constant, log10 K f, = 3.31 for the [CoL3] complex, was observed with the MeCN-DCM (20:80 %) binary mixture at 298.15 K. The values of the thermodynamic parameters (i.e., ?Gc� and ? Sc�) for the formation of the [CoL3] complex were obtained from the temperature dependence of the stability constant via van't Hoff plots. The results show that, in most cases, the [CoL3] complexes are enthalpy destabilized but entropy stabilized. The values and signs of the thermodynamic parameters are affected by the nature and composition of the mixed solvents but are independent of the temperature. � 2015 Springer Science+Business Media New York.

In the title compound, C14H18N2O2S, the piperidine ring has a chair conformation. Its mean plane is twisted with respect to the 4-methoxybenzoyl ring, with a dihedral angle of 63.0 (3). The central N-C( S)-N(H)-C( O) bridge is twisted with an N-C-N-C torsion angle of 74.8 (6). In the crystal, molecules are linked by N-H...O and C-H...O hydrogen bonds, forming chains along the c-axis direction. Adjacent chains are linked by C-H...φ interactions, forming layers parallel to the ac plane. The layers are linked by offset φ-φ interactions [intercentroid distance = 3.927 (3) Å ], forming a supramolecular three-dimensional structure.

In the title compound, C13H16N2O2S, the pyrrolidine ring has a twisted conformation on the central - CH2-CH2- bond. Its mean plane is inclined to the 4-methoxybenzoyl ring by 72.79 (15)°. In the crystal, molecules are linked by N - H⋯O and C - H⋯O hydrogen bonds to the same O-atom acceptor, forming chains along [001]. The chains are linked via slipped parallel π-π interactions [inter-centroid distance = 3.7578 (13) Å], forming undulating slabs parallel to (100).

Isomers of monothioureas, 2a-2d, derived from the reaction of disubstituted benzoyl isothiocyanate and dibenzylamine were synthesised and characterised by using elementary analysis CHNS and IR, 1H NMR, and 13C NMR spectroscopies. The compounds were screened for their in vitro antibacterial activity by using selected Gram-positive bacteria, and moderate inhibition activity was displayed for compound 2b with the value of inhibition zone 11 ± 0.8 mm at a concentration of 50 mg/ml. The outcomes of Lipinski's rule of five assessment appeared to be in agreement with all compounds as they adhered to most of the rules, in which they can be preliminarily classified as active drug-like. The frontier molecular orbitals (HOMO and LUMO) for halogen-substituted 3,4-dichloro (2a) and 3,4-difluoro (2b) were also determined by applying the computational method of density functional theory (DFT) to determine their relationship as a molecular descriptor in antibacterial activities. The value of LUMO energy for compound 2b (1.8229 eV) is lower than that of compound 2a (1.8492 eV) which indicates higher antibacterial activities.

Background: A novel optical sensor for the rapid and direct determination of permethrin preservatives in treated wood was designed. The optical sensor was fabricated from the immobilisation of 2,6-dichloro-p-benzoquinone-4-chloroimide (Gibbs reagent) in nafion/sol-gel hybrid film and the mode of detection was based on absorption spectrophotometry. Physical entrapment was employed as a method of immobilisation.Results: The sensor gave a linear response range of permethrin between 2.56-383.00 ?M with detection limit of 2.5 ?M and demonstrated good repeatability with relative standard deviation (RSD) for 10 ?M at 5.3%, 100 ?M at 2.7%, and 200 ?M at 1.8%. The response time of the sensor was 40 s with an optimum response at pH 11.Conclusions: The sensor was useful for rapid screening of wood or treated wood products before detailed analysis using tedious procedure is performed. The validation study of the optical sensor against standard method HPLC successfully showed that the permethrin sensor tended to overestimate the permethrin concentration determined. � 2013 Arip et al.; licensee Chemistry Central Ltd.