The hindered internal rotations around the partial carbon-carbon double bond, nitrogen-carbon and carbon-carbon single bonds within the 2-(2-chloro-phenothiazine-l-yl)-3-(triphenylphosphoranylidene) butandioate has been experimentally studied by the dynamic H NMR spectroscopic in variable temperatures. The activation (∆H, ∆S, ∆G) and kinetic (kc, Ea) parameters have been calculated in a series ...

Reaction of cis-[RuCl2(dppm)2]BF4 with TlBF4 and 1,4-diethynyl-benzenes results in the formation of the vinylidene cations trans-[Ru([double bond, length as m-dash]C[double bond, length as m-dash]CH-C6H2-2,5-R2-4-C[triple bond, length as m-dash]CH)Cl(dppm)2](+) (R = H, Me). Subsequent reaction with [N(n)Bu4]Cl results in nucleophilic attack at the coordinated organic ligand, but not at the expe...

In the title compound, C(13)H(10)N(2)O(2), a Schiff base derivative, the dihedral angle between the two aromatic rings is 31.58 (3)°. The C=N double bond is essentially coplanar with the nitro-phenyl ring. The torsion angle of the imine double bond is 175.97 (13)°, indicating that the C=N double bond is in a trans configuration. The crystal structure is stabilized by C-H⋯O contacts and π-π inte...

Bacillus subtilis was recently reported to synthesize unsaturated fatty acids (UFAs) with a double bond at positions 5, 7, and 9 (M. H. Weber, W. Klein, L. Muller, U. M. Niess, and M. A. Marahiel, Mol. Microbiol. 39:1321-1329, 2001). Since this finding would have considerable importance in the double-bond positional specificity displayed by the B. subtilis acyl lipid desaturase, we have attempt...

The title compound, C(15)H(12)BrN(3)O(4), displays a trans conformation with respect to the C=N double bond. The central atoms around the C=N double bond are not coplanar, in contrast to the aromatic rings, which exhibit a dihedral angle of 1.80 (4)° between their mean planes. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, mol-ecules are connected via inter-molecular N-H⋯O hydro...

Cycloaddition reaction between C30 and hula-I, 3-diene was studied within the Snimework of AM I (RHF)level. The reaction involving the double bond between two hexagons and a hexagon and a pentagon, as wellas the cycloaddition products followed by disrotatory ogs s electrocyclic ring openings were considered.Thermodynamics parameters and stability energy and innsation state are evaluated in thre...