Our goal was to explore the possible interactions of potential metallodrug (η5-Cp*)Rh(III) complexes with histidine containing biomolecules (peptides/proteins) in order understand most important thermodynamic factors influencing biospeciation and biotransformation complexes. To this end, here we report systematic solution structural study on interaction cation peptides their constituents ((N-me...

The title imidazolium-based ionic-liquid salt, C(18)H(24)N(4) (2+)·2PF(6) (-), has the cation lying about a center of inversion. The five-membered imidazole ring is disordered over two positions (the methyl substituents are ordered). This imidazole ring is approximately perpendicular to the six-membered phenyl-ene ring [dihedral angle = 81.3 (8)° for one disorder component and 83.8 (8)° for the...

The rate and equilibrium constants for the formation of a number of metmyoglobin species Mb+X (X = imidazole, imidazole-H-, 1-methylimidazole, 2-methylimidazole, 4-6 troimidazole, 2-methyl-5-nitroimidazole, pyridine, 2-, 3-, and 4-picoline) and the rates of their reduction by dithionite have been measured at 25”. Several different kinds of kinetic behavior for the reduction were observed. In al...

In the title mol-ecule, C21H20BrClN6O2, the chloro-substituted benzene ring forms a dihedral angle of 77.84 (7)° with the tetra-zole ring and the bromo-substituted ring forms a dihedral angle of 43.95 (6)° with the imidazole ring. The dihedral angle between the tetra-zole and imidazole rings is 67.42 (8)°. The terminal methyl group of the butyl substituent is disordered over two sets of sites, ...

The title compound, C12H11N5·2H2O, which crystallizes as a dihydrate, was obtained by Cu(I)-catalysed azide-alkyne cyclo-addition from 2-azido-1-methyl-imidazole and phenyl-ethyne. The dihedral angles between the central triazole ring (r.m.s. deviation = 0.004 Å) and the pendant imidazole (r.m.s. deviation = 0.006 Å) and phenyl rings are 12.3 (2) and 2.54 (19)°, respectively. In the crystal, th...

In the title compound, [CdCl(2)(C(4)H(6)N(2))(3)], the Cd(II) atom displays a penta-coordinate CdN(3)Cl(2) coordination geometry, being coordinated by an N atom of three 2-methyl-imidazole ligands and two Cl atoms. In the crystal, the mononuclear complexes are linked by N-H⋯Cl hydrogen bonds into a two-dimensional network in the ab plane.

In the title compound, C29H19F3N2O, a phenanthroline-fused imidazole tetra-cyclic system, the fused benzene rings deviate slightly from the central ring and make dihedral angles with this ring of 3.47 (8) and 3.05 (8)°. The tri-fluoro-methyl-phenyl ring is roughly coplanar with the phenanthroline-fused imidazole tetra-cyclic system [dihedral angle = 11.02 (6)°], while the meth-oxy-phenyl ring i...

Allylic and benzylic alcohols can be selectively oxidized to their corresponding aldehydes or ketones in water containing nanoreactors composed of the designer surfactant TPGS-750-M. The oxidation relies on catalytic amounts of CuBr, bpy, and TEMPO, with N-methyl-imidazole; air is the stoichiometric oxidant.

Multicomponent reactions involving azines (4-methylpyridine, isoquinoline and N-methyl imidazole) and acetylenic ester were undertaken in the presence of CH compound such as 2-furoyl trifluoroacetone(4,4,4-trifluoro-1-thiophen-2-yl-butan-1,3-dione) to generate enaminoesters as stable 1,4-diionic compounds in high yields.

In the title compound, C(8)H(12)N(4)O(4), the essentially planar methyl-carbamoyloxymethyl group [maximum deviation 0.038 (3) Å] and the imidazole ring make a dihedral angle of 48.47 (3)°. The crystal packing is stabilized by inter-molecular N-H⋯N and C-H⋯O hydrogen bonds, which link the mol-ecules into infinite ribbons running along the a axis, and by weak π-π stacking inter-actions [centroid-...