In the title compound, C(21)H(25)NO(2), the piperidine ring adopts a twisted boat conformation characterized by puckering parameters θ = 89.5 (1) and ϕ = 257.5 (2)°. The phenyl groups are located in equatorial and axial positions on the central piperidine ring, while the methyl group is in an equatorial position. The dihedral angle between the phenyl rings is 49.8 (1)°. An intra-molecular C-H⋯O...

The molecular structures of axial and equatorial conformers of cyclo-C5H10SiHX (X = Cl, Br, I) as well as the thermodynamic equilibrium between these species was investigated by means of gas electron diffraction, dynamic nuclear magnetic resonance, temperature-dependent Raman spectroscopy, and quantum-chemical calculations applying CCSD(T), MP2, and DFT methods. According to the experimental an...

the complex of ce(iii), [ ce (phensc) (h 0) ] (c10 ) , was synthesized using the phensc, a hexadentate ligand,2,9-diformyl-1,lo- phenanthroline bis (semicarbazone), and characterized by x-ray diffraction. the cerium atom has an unusual coordination number of ten involving six donor atoms of the planar ligand in the equatorial plane and four oxygen atoms from four axial water molecules. the comp...

Density functional theory has been used to investigate structural and electronic properties of complexes related to the resting form of the active site of vanadium haloperoxidase as a function of environment and protonation state. Results obtained by studying models of varying size and complexity highlight the influence of environment and protonation state on the structure and stability of the ...

2-Amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinane reacts with acyl chlorides (4-chlorobenzoyl chloride or pivaloyl chloride) yielding the respective N-acyl selenophosphoramides. These derivatives do not isomerise to the related selenocarbonyl imides. X-ray study of N-(4-chlorobenzoyl)-2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinane indicates that the selenium atom is placed in the e...

The title compound, C(21)H(24)O(11), crystallizes exclusively as the β-anomer. The substituent of the protected sugar at position C-3 is in the axial position, while all other groups are in equatorial positions. The pyran-oside ring adopts a stable chair conformation.

The title salt, [CoBr(C11H27N5)]Br2·2H2O, contains a complex cation with mirror symmetry and two Br(-) counter-anions that are likewise located on the mirror plane. The central Co(III) atom of the complex cation has one Br(-) ion in an axial position, one N atom of the penta-dentate macrocyclic ligand in the other axial position and four N atoms of the ligand in equatorial positions, defining a...

The complex of Ce(III), [ Ce (PHENSC) (H 0) ] (C10 ) , was synthesized using the PHENSC, a hexadentate ligand,2,9-diformyl-1,lO- Phenanthroline bis (semicarbazone), and characterized by X-ray diffraction. The cerium atom has an unusual coordination number of ten involving six donor atoms of the planar ligand in the equatorial plane and four oxygen atoms from four axial water molecules. The...

The title complex, [Sn(IV)(C(44)H(28)N(4))(CNO)(OH)], exhibits substitutional disorder of the OH(-) and OCN(-) axial ligands. Thus, the cyanato-O ligand and the hydroxyl group bonded to the central Sn(IV) atom share statistically the axial position. The Sn(IV) ion is hexa-coordinated by the four N atoms of the pyrrole rings of the tetra-phenyl-porphyrin (TPP) and the O atoms of the two disorder...

The proportions of axial anomers of various glucosylamines (2) and their conjugate acids were determined by 1H NMR. The change upon N-protonation is small and can be accounted for by steric effects, without any "reverse anomeric effect." To test whether N-protonation changes the steric bulk of an imidazolyl group, ring-inversion equilibria of cis-N-(4-alkylcyclohexyl)imidazoles (3c, 4c) and of ...