A new formulation of a pose refinement technique using “active” models is described. An error term derived from the detection of image derivatives close to an initial object hypothesis is linearised and solved by least squares. The method is particularly well suited to problems involving external geometrical constraints (such as the ground-plane constraint). We show that the method is able to r...

Four fundamental physical parameters of series of benzene derivatives were studied to ascertain correlations with biological activity. These included octanol/water coefficient, vapor pressure, infrared absorption (out-of-plane C-H vibration), and the pi values. Each physicochemical constant exhibited a partial correlation with biological activity suggesting that each played a role. It was presu...

Abstraction of hydrogen atoms by pthalimide-N-oxyl radicals is an important step in the N-hydroxyphthalimide catalyzed autoxidation of hydrocarbons. In this contribution, the temperature dependency of this reaction is evaluated by a detailed transition state theory based kinetic analysis for the case of toluene. Tunneling was found to play a very important role, enhancing the rate constant by a...

The racemic (6-cyclo-heptadienyl)Fe(CO)(3)(+) cation ((±)-7), prepared from cyclooctatetraene, was treated with a variety of carbon and heteroatom nucleophiles. Attack took place at the less hindered C(1) dienyl carbon and decomplexation of the (cycloheptadiene)Fe(CO)(3) complexes gave products rich in functionality for further synthetic manipulation. In particular, a seven-step route was devel...

The reduction of N-(p-fluorobenzenesulfonyl)phthalimide on polycrystalline gold and Au(111) was studied. Our key finding is the decomposition of the compound on the surface, leaving only sulfur behind. This was supported by X-ray photoelectron spectroscopy (XPS), cyclic voltammetry (CV) and scanning tunneling microscopy (STM). The modification leads to observation by STM of well-known as well a...

In the mol-ecule of the title compound, C(20)H(16)N(2)O(5), the phthalimide fragments are almost planar, with r.m.s. deviations of 0.018 and 0.020 Å, and make a dihedral angle of 53.64 (3)°. The mol-ecular and crystal structures are stabilized by a weak inter-molecular C-H⋯O, C-H⋯π and C=O⋯π [2.883 (1) Å] inter-actions and aromatic π-π stacking inter-actions with a centroid-centroid distance of...

A series of Schiff bases of phthalimide (4a-l) were prepared in satisfactory yields and evaluated for their anticonvulsant and neurotoxicity activities. The structures of all the compounds were in good agreement with elemental analysis and spectral data. All the compounds were active in MES screen and less neurotoxic than phenytoin. Compound 41 having nitro substitution at ortho position of the...

The reaction of [Co2(CO)8] with an equimolar amount the internal alkyne N-(2-butynyl)phthalimide (1-Phthalimido-2-butyne) 1 in heptane solution yields title compound [Co2(CO)6(µ-phthalimidoCH2C≡CMe)] 2. Compound 2 has been characterized using IR, 1H and 13C NMR spectroscopy; tetrahedrane-type cluster framework ascertained a single-crystal X-ray diffraction study performed at 100 K.

In the title compound, C(14)H(4)Cl(4)FNO(2), the benzene ring and the phthalimide plane are nearly planar, the maximum deviations being 0.005 (2) and 0.010 (2) Å, respectively, but the mol-ecule as a whole is not planar: the dihedral angle between the two planar ring systems is 68.06 (10)°. A short Cl⋯O contact of 2.914 (2) Å exists in the crystal structure.